Geometry & MOs

Info

ID:	283305
PubChem CID:	103972894
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	308.12936
ΔH_f, kcal/mol:	-168.08
Dipole, Da:	3.84
IP(EA), eV:	-9.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-methylsulfonylethyl)-2-propan-2-ylpropanedioate

Drug info:

PubChemData

Smile

CCCC(CC1=NC=CS1)(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations