Geometry & MOs

Info

ID:	201530
PubChem CID:	79551327
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	280.109293
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	4.17
IP(EA), eV:	-9.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNCC(C)(C)S(=O)(=O)C

DOS

IR

Vibrations