Geometry & MOs

Info

ID:	87405
PubChem CID:	49894500
Reduced:	ClNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	325.077265
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	4.66
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC(=CC=C4)Cl)OC)/SC2=O

DOS

IR

Vibrations