Geometry & MOs

Info

ID:	87688
PubChem CID:	49896533
Reduced:	ClNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	385.098394
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	1.91
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)Cl)/SC2=O

DOS

IR

Vibrations