Geometry & MOs

Info

ID:	31815
PubChem CID:	3719595
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	527.110412
ΔH_f, kcal/mol:	-98.56
Dipole, Da:	1.26
IP(EA), eV:	-8.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNC(=S)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations