Geometry & MOs

Info

ID:	324243
PubChem CID:	126677220
Reduced:	N3O7C17H27 (1)
Stoich.:	A3B7C17D27 (1)
Weight, g/mol:	475.235222
ΔH_f, kcal/mol:	-234.28
Dipole, Da:	7.32
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S,7S)-6-amino-7-[(1R,3R)-6-amino-4-(benzylamino)-2-hydroxy-3-methoxycyclohexyl]oxy-7-sulfanyloxyheptane-2,4,5-triol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CN)COOC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O

DOS

IR

Vibrations