Geometry & MOs

Info

ID:	412882
PubChem CID:	135085816
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	5.35
IP(EA), eV:	-9.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxodecan-4-yl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ONC(C)C#C

DOS

IR

Vibrations