Geometry & MOs

Info

ID:	87345
PubChem CID:	49894214
Reduced:	SN2O5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	609.11846
ΔH_f, kcal/mol:	-142.26
Dipole, Da:	3.3
IP(EA), eV:	-8.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC

DOS

IR

Vibrations