Geometry & MOs

Info

ID:	72279
PubChem CID:	48415999
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	7.46
Dipole, Da:	1.84
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=CS2)CC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations