Geometry & MOs

Info

ID:	87403
PubChem CID:	49894494
Reduced:	SN2O5C30H30 (1)
Stoich.:	AB2C5D30E30 (1)
Weight, g/mol:	447.01399
ΔH_f, kcal/mol:	-138.63
Dipole, Da:	3.02
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OCC(=O)NC4=CC=CC(=C4C)C

DOS

IR

Vibrations