Geometry & MOs

Info

ID:	87439
PubChem CID:	49894643
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	370.062343
ΔH_f, kcal/mol:	-15.77
Dipole, Da:	6.19
IP(EA), eV:	-9.28(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations