Geometry & MOs

Info

ID:	272190
PubChem CID:	103734350
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	321.160994
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	3.8
IP(EA), eV:	-9.26(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[oxolan-2-ylmethyl(2-propan-2-ylsulfonylethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCN(CCS(=O)(=O)C(C)C)CC(C)C#N

DOS

IR

Vibrations