Geometry & MOs

Info

ID:	86728
PubChem CID:	49888727
Reduced:	ISN2O2H19C23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	539.072485
ΔH_f, kcal/mol:	11.22
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations