Geometry & MOs

Info

ID:	239975
PubChem CID:	93375434
Reduced:	ON3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	261.114713
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	5.84
IP(EA), eV:	-9.74(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(2S)-2-cyanopropyl]-N-methyl-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@H](CN(C)C(=O)[C@H](C)N)C#N

DOS

IR

Vibrations