Geometry & MOs

Info

ID:	436215
PubChem CID:	135195274
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	1.98
IP(EA), eV:	-8.98(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(2-fluoro-4-methylphenyl)-4-methylpentan-2-yl] (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[C@@H]([C@H](C)OC(=O)[C@H](C)N)C(C)C)C

DOS

IR

Vibrations