Geometry & MOs

Info

ID:	36047
PubChem CID:	7980697
Reduced:	NF3O3H14C20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	373.092578
ΔH_f, kcal/mol:	-198.21
Dipole, Da:	5.99
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations