Geometry & MOs

Info

ID:	244876
PubChem CID:	99431530
Reduced:	N2F3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	430.150427
ΔH_f, kcal/mol:	-235.42
Dipole, Da:	8.92
IP(EA), eV:	-9.49(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)(C(F)(F)F)O

DOS

IR

Vibrations