Geometry & MOs

Info

ID:	87521
PubChem CID:	49895190
Reduced:	SN2O4H26C28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	447.01399
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	1.8
IP(EA), eV:	-8.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC(=O)NC4=C(C=C(C=C4)C)C)/SC2=O

DOS

IR

Vibrations