Geometry & MOs

Info

ID:	171082
PubChem CID:	75325265
Reduced:	SN2O2H22C26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	517.031763
ΔH_f, kcal/mol:	0.2
Dipole, Da:	6.85
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methyl]-5-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations