Geometry & MOs

Info

ID:	72031
PubChem CID:	48415734
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	373.101561
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	6.98
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-chloro-N-methyl-5-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations