Geometry & MOs

Info

ID:	385279
PubChem CID:	134978678
Reduced:	BSO2C14H25 (1)
Stoich.:	ABC2D14E25 (1)
Weight, g/mol:	270.219495
ΔH_f, kcal/mol:	-173.0
Dipole, Da:	3.33
IP(EA), eV:	-8.34(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methyl-1,3-dioxolan-2-yl)dodecan-5-one

Drug info:

PubChemData

Smile

B1(O[C@@H]2CC3CC([C@@]2(O1)C)C3(C)C)CCSCC

DOS

IR

Vibrations