Geometry & MOs

Info

ID:	36045
PubChem CID:	7980695
Reduced:	FNO3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	337.111422
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	6.06
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations