Geometry & MOs

Info

ID:	323877
PubChem CID:	126676412
Reduced:	SN2O2C26H36 (1)
Stoich.:	AB2C2D26E36 (1)
Weight, g/mol:	393.2475
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	4.1
IP(EA), eV:	-7.25(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S,6S)-5-amino-6-[(1R,2R,3R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C2=NC=CN2COCCS(C)(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations