Geometry & MOs

Info

ID:	72237
PubChem CID:	48415956
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-76.07
Dipole, Da:	4.21
IP(EA), eV:	-8.93(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations