Geometry & MOs

Info

ID:	323569
PubChem CID:	126675490
Reduced:	OC24H34 (1)
Stoich.:	AB24C34 (1)
Weight, g/mol:	441.2475
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	3.81
IP(EA), eV:	-8.54(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-amino-6-[(1R,3R)-6-amino-4-(benzylamino)-2-hydroxy-3-methoxycyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CCC(=C)[C@]1(CCC2C1(CCC3C2CCC4=CC(=C)C=CC34C)C)O

DOS

IR

Vibrations