Geometry & MOs

Info

ID:	36044
PubChem CID:	7980694
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	337.111422
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	3.93
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations