Geometry & MOs

Info

ID:	56578
PubChem CID:	17436397
Reduced:	ClOSN5H12C14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	63.16
Dipole, Da:	4.65
IP(EA), eV:	-8.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NN3C=CC=NC3=N2)Cl

DOS

IR

Vibrations