Geometry & MOs

Info

ID:	212959
PubChem CID:	81062403
Reduced:	SN3O3C12H21 (1)
Stoich.:	AB3C3D12E21 (1)
Weight, g/mol:	288.204907
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-trimethyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(N=CC=C1)NC

DOS

IR

Vibrations