Geometry & MOs

Info

ID:	236921
PubChem CID:	92716274
Reduced:	SO2N3C27H37 (1)
Stoich.:	AB2C3D27E37 (1)
Weight, g/mol:	462.27949
ΔH_f, kcal/mol:	-83.27
Dipole, Da:	4.7
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N([C@H](C3=CC=CN32)C(=O)NC4CCCCCC4)C5CCCCCC5)C

DOS

IR

Vibrations