Geometry & MOs

Info

ID:	133229
PubChem CID:	51495830
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	342.241962
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	5.05
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzimidazol-1-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

C1C[C@@H](COC1)NC(=O)CSC2=NC=CC3=CC=CC=C32

DOS

IR

Vibrations