Geometry & MOs

Info

ID:	201526
PubChem CID:	79551033
Reduced:	SO2N3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	250.135114
ΔH_f, kcal/mol:	-64.27
Dipole, Da:	6.83
IP(EA), eV:	-9.14(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(CN1C=NC=C1CNC)S(=O)(=O)C

DOS

IR

Vibrations