Geometry & MOs

Info

ID:	131621
PubChem CID:	51236213
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	3.91
Dipole, Da:	3.23
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2N1CC=C

DOS

IR

Vibrations