Geometry & MOs

Info

ID:	87458
PubChem CID:	49894773
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	2.2
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-methylphenyl)methyl]-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=CC=C3)O)/SC2=O

DOS

IR

Vibrations