Geometry & MOs

Info

ID:	86664
PubChem CID:	49888344
Reduced:	ClNSO4H12C18 (1)
Stoich.:	ABCD4E12F18 (1)
Weight, g/mol:	629.06383
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	5.93
IP(EA), eV:	-9.58(-1.36)
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-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations