Geometry & MOs

Info

ID:	230293
PubChem CID:	87570599
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	463.158213
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	0.11
IP(EA), eV:	-10.05(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1C(O1)C/C=C/CC2CO2

DOS

IR

Vibrations