Geometry & MOs

Info

ID:	86771
PubChem CID:	49889157
Reduced:	NSO4H19C25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	483.017951
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	4.25
IP(EA), eV:	-9.55(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations