Geometry & MOs

Info

ID:	87582
PubChem CID:	49895624
Reduced:	ClNSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	403.064507
ΔH_f, kcal/mol:	-119.02
Dipole, Da:	4.74
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-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)OC)OC(=O)C4=CC=CC=C4Cl)/SC2=O

DOS

IR

Vibrations