Geometry & MOs

Info

ID:	87262
PubChem CID:	49893492
Reduced:	NSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	492.062737
ΔH_f, kcal/mol:	-44.99
Dipole, Da:	3.11
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(Z)-[3-(2-anilino-2-oxoethyl)-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)CN2C(=O)/C(=C/C3=CC=C(C=C3)C(C)C)/SC2=O

DOS

IR

Vibrations