Geometry & MOs

Info

ID:	37755
PubChem CID:	8024117
Reduced:	NO3C22H26 (1)
Stoich.:	AB3C22D26 (1)
Weight, g/mol:	355.096834
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	11.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794351
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3C)C

DOS

IR

Vibrations