Geometry & MOs

Info

ID:	88109
PubChem CID:	49901501
Reduced:	ISN2O2H21C27 (1)
Stoich.:	ABC2D2E21F27 (1)
Weight, g/mol:	499.072573
ΔH_f, kcal/mol:	27.07
Dipole, Da:	5.6
IP(EA), eV:	-8.71(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations