Geometry & MOs

Info

ID:	87312
PubChem CID:	49893941
Reduced:	SN2O6H18C25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	459.150429
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	5.83
IP(EA), eV:	-9.26(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations