Geometry & MOs

Info

ID:	36046
PubChem CID:	7980696
Reduced:	FNO3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	373.092578
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	5.42
IP(EA), eV:	-8.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-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