Geometry & MOs

Info

ID:	131436
PubChem CID:	51204576
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	352.080769
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	2.61
IP(EA), eV:	-8.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations