Geometry & MOs

Info

ID:	87371
PubChem CID:	49894334
Reduced:	NSI2O3H19C25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	433.098394
ΔH_f, kcal/mol:	-1.44
Dipole, Da:	3.72
IP(EA), eV:	-9.3(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)I)/SC2=O

DOS

IR

Vibrations