Geometry & MOs

Info

ID:	422965
PubChem CID:	135118697
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	3.98
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations