Geometry & MOs

Info

ID:	86617
PubChem CID:	49887648
Reduced:	NSCl3O4H18C25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	472.989149
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	5.76
IP(EA), eV:	-8.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations