Geometry & MOs

Info

ID:	274807
PubChem CID:	103811792
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	246.176585
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	3.38
IP(EA), eV:	-9.32(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NCCC2CCC2

DOS

IR

Vibrations