Geometry & MOs

Info

ID:	71875
PubChem CID:	48415563
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	391.146681
ΔH_f, kcal/mol:	-33.34
Dipole, Da:	4.33
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations