Geometry & MOs

Info

ID:	58237
PubChem CID:	24434840
Reduced:	ON2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	42.54
Dipole, Da:	3.36
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-oxo-N-[(E)-thiolan-3-ylideneamino]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)CCC1C5=CC=CC=C5

DOS

IR

Vibrations