Geometry & MOs

Info

ID:	87422
PubChem CID:	49894545
Reduced:	SN2O7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	475.04529
ΔH_f, kcal/mol:	-207.56
Dipole, Da:	2.56
IP(EA), eV:	-9.02(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC(=O)O)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations