Geometry & MOs

Info

ID:	232632
PubChem CID:	87576577
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	457.098394
ΔH_f, kcal/mol:	20.85
Dipole, Da:	4.09
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]-3-(4-methylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1COC2=C(CN1C=O)C=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

DOS

IR

Vibrations