Geometry & MOs

Info

ID:	194866
PubChem CID:	78599363
Reduced:	ClSN4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	128.65
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N-[1-(4-phenylphenyl)ethylideneamino]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NN=CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations