Geometry & MOs

Info

ID:	87438
PubChem CID:	49894639
Reduced:	ClSN2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	3.48
IP(EA), eV:	-9.43(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)N)Cl)/SC2=O

DOS

IR

Vibrations