Geometry & MOs

Info

ID:	298729
PubChem CID:	117655004
Reduced:	O2F3N3H10C15 (1)
Stoich.:	A2B3C3D10E15 (1)
Weight, g/mol:	465.206385
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	7.07
IP(EA), eV:	-9.86(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[4-[6-amino-5-(4-fluorobenzoyl)-2-oxo-1H-pyridin-3-yl]phenyl]ethylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=NC=CN2N=C1C3=CC=CC=C3C(F)(F)F)C(=O)O

DOS

IR

Vibrations