Geometry & MOs

Info

ID:	87461
PubChem CID:	49894792
Reduced:	SN2O4H26C28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	545.223594
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	0.85
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]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=C(C=C3)OCC(=O)NC4=C(C=C(C=C4)C)C)/SC2=O

DOS

IR

Vibrations