Geometry & MOs

Info

ID:	86585
PubChem CID:	49887443
Reduced:	ClNS2O3H16C22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	429.080157
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	1.86
IP(EA), eV:	-8.56(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations