Geometry & MOs

Info

ID:	71881
PubChem CID:	48415571
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	1.68
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN3CCSC3=O

DOS

IR

Vibrations