Geometry & MOs

Info

ID:	72067
PubChem CID:	48415778
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	73.82
Dipole, Da:	9.05
IP(EA), eV:	-8.52(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(propylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations