Geometry & MOs

Info

ID:	192408
PubChem CID:	78266706
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	354.136828
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	8.7
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-4-[(3-phenoxyphenyl)methylidene]-2-phenylpyrazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1C(C2C(NC1=C)NC(=S)NC2=O)C3=CC=CC=C3F

DOS

IR

Vibrations