Geometry & MOs

Info

ID:	271693
PubChem CID:	103688786
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	5.17
IP(EA), eV:	-9.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-cyano-2-methylphenyl)sulfonyl-ethylamino]acetate

Drug info:

PubChemData

Smile

CCOCCCNS(=O)(=O)C1=C(C=C(C=C1)C#N)C

DOS

IR

Vibrations