Geometry & MOs

Info

ID:	446088
PubChem CID:	135272290
Reduced:	N5O10C21H41 (1)
Stoich.:	A5B10C21D41 (1)
Weight, g/mol:	954.437486
ΔH_f, kcal/mol:	-461.57
Dipole, Da:	3.58
IP(EA), eV:	-9.59(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-azido-3-[[(9S)-7-[(4S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl] benzoate

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)OC3[C@@H](CC(CC3N)N)O)N)OC1OC4C([C@H](C(C(O4)CO)N)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)OC3[C@@H](CC(CC3N)N)O)N)OC1OC4C([C@H](C(C(O4)CO)N)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):