Geometry & MOs

Info

ID:	275340
PubChem CID:	103815303
Reduced:	N2O2S2C9H14 (1)
Stoich.:	A2B2C2D9E14 (1)
Weight, g/mol:	251.119129
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	5.49
IP(EA), eV:	-9.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-propan-2-ylsulfonylethyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2CCCC2

DOS

IR

Vibrations