Geometry & MOs

Info

ID:	87585
PubChem CID:	49895639
Reduced:	ClSN2O4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	415.047421
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	5.28
IP(EA), eV:	-9.49(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations