Geometry & MOs

Info

ID:	436217
PubChem CID:	135195276
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	285.154035
ΔH_f, kcal/mol:	-116.89
Dipole, Da:	0.5
IP(EA), eV:	-9.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations