Geometry & MOs

Info

ID:	171031
PubChem CID:	75315017
Reduced:	ClNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	434.085577
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	5.03
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-5-[[4-(N-methylanilino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations