Geometry & MOs

Info

ID:	87354
PubChem CID:	49894269
Reduced:	SN2O4C29H30 (1)
Stoich.:	AB2C4D29E30 (1)
Weight, g/mol:	501.19738
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	7.98
IP(EA), eV:	-8.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)/C=C\5/C(=O)N(C(=O)S5)CC(=O)NC6=CC=CC=C6

DOS

IR

Vibrations