Geometry & MOs

Info

ID:	27237
PubChem CID:	819823
Reduced:	ClSN4H5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	326.090272
ΔH_f, kcal/mol:	121.56
Dipole, Da:	8.59
IP(EA), eV:	-8.81(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-benzamido-3-(4-nitrophenyl)but-2-enoic acid

Drug info:

PubChemData

Smile

C1=C2C(=NSN2)C3=NC(=NC3=C1)CCl

DOS

IR

Vibrations