Geometry & MOs

Info

ID:	88469
PubChem CID:	49903639
Reduced:	SN2O4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	354.067428
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	5.58
IP(EA), eV:	-9.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations