Geometry & MOs

Info

ID:	436212
PubChem CID:	135195225
Reduced:	FNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	4.09
IP(EA), eV:	-9.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-4-methyl-3-(2-methylphenyl)pentan-2-yl] (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations