Geometry & MOs

Info

ID:	151319
PubChem CID:	53801058
Reduced:	NSO2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	314.172939
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	4.88
IP(EA), eV:	-8.81(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-3-ethoxycarbonyl-2,8-dimethyl-6-oxononanoic acid

Drug info:

PubChemData

Smile

CCC1CCCN(C1)CCS(=O)(=O)C

DOS

IR

Vibrations