Geometry & MOs

Info

ID:	72096
PubChem CID:	48415807
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	3.41
Dipole, Da:	4.87
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)C

DOS

IR

Vibrations