Geometry & MOs

Info

ID:	436213
PubChem CID:	135195272
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	285.154035
ΔH_f, kcal/mol:	-104.8
Dipole, Da:	1.42
IP(EA), eV:	-9.02(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations