Geometry & MOs

Info

ID:	88007
PubChem CID:	49899689
Reduced:	NSCl2O5H19C26 (1)
Stoich.:	ABC2D5E19F26 (1)
Weight, g/mol:	502.991648
ΔH_f, kcal/mol:	-128.11
Dipole, Da:	7.1
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations