Geometry & MOs

Info

ID:	88222
PubChem CID:	49902407
Reduced:	ClSN3O4H20C24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	576.80167
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	4.25
IP(EA), eV:	-8.94(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations