Geometry & MOs

Info

ID:	212679
PubChem CID:	81061471
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	246.194343
ΔH_f, kcal/mol:	-103.57
Dipole, Da:	4.31
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations