Geometry & MOs

Info

ID:	446108
PubChem CID:	135272423
Reduced:	N7O11C23H45 (1)
Stoich.:	A7B11C23D45 (1)
Weight, g/mol:	844.317845
ΔH_f, kcal/mol:	-497.72
Dipole, Da:	4.77
IP(EA), eV:	-9.61(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3R)-2-[[(9S)-7-[[(8aS)-7-hydroxy-2-oxo-4,4a,6,7,8,8a-hexahydro-1H-pyrano[3,2-d][1,3]oxazin-6-yl]oxy]-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3-fluoro-4-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC1C(C2[C@H](CC(C(O2)O[C@H]3[C@@H](C(C(CC3N)N)O)N)N)OC1OC4C([C@H](C(C(O4)CO)NC(=O)CN)O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC1C(C2[C@H](CC(C(O2)O[C@H]3[C@@H](C(C(CC3N)N)O)N)N)OC1OC4C([C@H](C(C(O4)CO)NC(=O)CN)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):