Geometry & MOs

Info

ID:	37761
PubChem CID:	8024157
Reduced:	ClSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	391.07799
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	5.72
IP(EA), eV:	-8.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

DOS

IR

Vibrations