Geometry & MOs

Info

ID:	302799
PubChem CID:	124396094
Reduced:	FSN2O5C25H25 (1)
Stoich.:	ABC2D5E25F25 (1)
Weight, g/mol:	418.10842
ΔH_f, kcal/mol:	-188.18
Dipole, Da:	2.73
IP(EA), eV:	-8.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[3-chloro-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)N3CCCC3)OCC4=CC(=CC=C4)F

DOS

IR

Vibrations