Geometry & MOs

Info

ID:	139513
PubChem CID:	52544802
Reduced:	NSO2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	1.97
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CCSC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations