Geometry & MOs

Info

ID:	124470
PubChem CID:	50884854
Reduced:	SN3O6H9C15 (1)
Stoich.:	AB3C6D9E15 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	10.83
IP(EA), eV:	-9.23(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-bromo-4,5-diethoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-])O

DOS

IR

Vibrations