Geometry & MOs

Info

ID:	88135
PubChem CID:	49901817
Reduced:	SCl2N2O7H18C26 (1)
Stoich.:	AB2C2D7E18F26 (1)
Weight, g/mol:	440.975998
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	4.95
IP(EA), eV:	-9.3(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-4-ethoxyphenyl)methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations