Geometry & MOs

Info

ID:	87241
PubChem CID:	49893414
Reduced:	ClN2S2O4H19C26 (1)
Stoich.:	AB2C2D4E19F26 (1)
Weight, g/mol:	472.989149
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	7.92
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations