Geometry & MOs

Info

ID:	68819
PubChem CID:	46509152
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	2.81
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C(=O)COC3=CC=CC=C32)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations