Geometry & MOs

Info

ID:	239976
PubChem CID:	93375435
Reduced:	SN3O3C10H19 (1)
Stoich.:	AB3C3D10E19 (1)
Weight, g/mol:	261.114713
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	8.27
IP(EA), eV:	-9.94(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations