Geometry & MOs

Info

ID:	391251
PubChem CID:	135003867
Reduced:	NO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	430.330309
ΔH_f, kcal/mol:	-215.53
Dipole, Da:	2.79
IP(EA), eV:	-10.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butylnonan-5-ylsulfanyl(5-methyldecan-5-ylsulfanyl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=C)C(=O)OC)(C#N)OC(=O)C

DOS

IR

Vibrations