Geometry & MOs

Info

ID:	436216
PubChem CID:	135195275
Reduced:	FNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	2.98
IP(EA), eV:	-9.24(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations