Geometry & MOs

Info

ID:	86704
PubChem CID:	49888537
Reduced:	ClNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	434.085577
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	5.91
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-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=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations