Geometry & MOs

Info

ID:	45573
PubChem CID:	10515110
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-202.88
Dipole, Da:	2.1
IP(EA), eV:	-10.04(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,5S,6S)-4-ethylidene-5-methyl-6-octyl-1,3-dioxan-2-one

Drug info:

PubChemData

Smile

COC(=O)C12C[C@H]3CC(C1)C[C@@H](C2)C3(OC)OC

DOS

IR

Vibrations