Geometry & MOs

Info

ID:

166132

PubChem CID:

74642022

Reduced:

ClNSO3H9C14 (1)

Stoich.:

ABCD3E9F14 (1)

Weight, g/mol:

307.006992

ΔHf, kcal/mol:

-23.05

Dipole, Da:

8.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.039615

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-chlorobenzoyl)amino]-3-thiophen-2-ylprop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CS2)C(=O)[O-])Cl

DOS

IR

Vibrations