Geometry & MOs

Info

ID:	244823
PubChem CID:	99431366
Reduced:	BrN2O2F3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	385.124941
ΔH_f, kcal/mol:	-208.79
Dipole, Da:	3.58
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dioxo-1H-pyrazin-4-yl)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)Br

DOS

IR

Vibrations