Geometry & MOs

Info

ID:	244824
PubChem CID:	99431368
Reduced:	F3N3O4C17H18 (1)
Stoich.:	A3B3C4D17E18 (1)
Weight, g/mol:	385.124941
ΔH_f, kcal/mol:	-294.66
Dipole, Da:	3.17
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CCN2C=CNC(=O)C2=O)(C(F)(F)F)O

DOS

IR

Vibrations