Geometry & MOs

Info

ID:	72061
PubChem CID:	48415769
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	3.82
Dipole, Da:	4.85
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N(C)CCCC1=NC2=CC=CC=C2N1)C3=CC=CC=C3

DOS

IR

Vibrations