Geometry & MOs

Info

ID:	160158
PubChem CID:	57304875
Reduced:	SO2C21H34 (1)
Stoich.:	AB2C21D34 (1)
Weight, g/mol:	273.194008
ΔH_f, kcal/mol:	-125.8
Dipole, Da:	4.58
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-(2-methylpropyl)-3-(oxan-2-yloxyamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CCCCCSC(CC(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations