Geometry & MOs

Info

ID:	72093
PubChem CID:	48415804
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	12.58
Dipole, Da:	1.99
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

DOS

IR

Vibrations