Geometry & MOs

Info

ID:	86834
PubChem CID:	49889614
Reduced:	FNSI2O3H16C24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	457.0187
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	2.05
IP(EA), eV:	-9.52(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)I

DOS

IR

Vibrations