Geometry & MOs

Info

ID:	124099
PubChem CID:	50872625
Reduced:	OSN3H21C26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	452.013678
ΔH_f, kcal/mol:	83.18
Dipole, Da:	1.96
IP(EA), eV:	-8.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(E)-[3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)N=C(S4)NC5=CC=CC=C5

DOS

IR

Vibrations