Geometry & MOs

Info

ID:	88474
PubChem CID:	49903683
Reduced:	FISN2O6H18C25 (1)
Stoich.:	ABCD2E6F18G25 (1)
Weight, g/mol:	480.05467
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	5.18
IP(EA), eV:	-9.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])I)OCC4=CC=CC=C4F

DOS

IR

Vibrations