Geometry & MOs

Info

ID:	25547
PubChem CID:	626312
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OC

DOS

IR

Vibrations