Geometry & MOs

Info

ID:	87565
PubChem CID:	49895521
Reduced:	ClNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	537.06094
ΔH_f, kcal/mol:	-85.62
Dipole, Da:	4.48
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations