Geometry & MOs

Info

ID:	87636
PubChem CID:	49896147
Reduced:	NSO3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	427.064507
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	3.82
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(4-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)OCC=C)/SC2=O

DOS

IR

Vibrations