Geometry & MOs

Info

ID:	446087
PubChem CID:	135272289
Reduced:	N6O10C21H42 (1)
Stoich.:	A6B10C21D42 (1)
Weight, g/mol:	523.285343
ΔH_f, kcal/mol:	-457.19
Dipole, Da:	4.0
IP(EA), eV:	-9.52(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[[(8aS)-7-amino-6-[(6R)-2,4-diamino-6-hydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol

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

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):