Geometry & MOs

Info

ID:	37765
PubChem CID:	8024184
Reduced:	BrClN2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	1.82
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-anilino-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations