Geometry & MOs

Info

ID:	72068
PubChem CID:	48415779
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	3.98
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations