Geometry & MOs

Info

ID:	58236
PubChem CID:	24434838
Reduced:	SCl2F2N4H8C15 (1)
Stoich.:	AB2C2D4E8F15 (1)
Weight, g/mol:	450.205576
ΔH_f, kcal/mol:	30.74
Dipole, Da:	0.48
IP(EA), eV:	-8.95(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-oxo-N-[(4-phenylcyclohexylidene)amino]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=N/N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)F)F

DOS

IR

Vibrations