Geometry & MOs

Info

ID:	87391
PubChem CID:	49894451
Reduced:	SN2O5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	496.91189
ΔH_f, kcal/mol:	-33.47
Dipole, Da:	5.88
IP(EA), eV:	-9.3(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations