Geometry & MOs

Info

ID:	406914
PubChem CID:	135078917
Reduced:	IOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	518.346353
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	2.52
IP(EA), eV:	-9.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(acetyloxymethyl)undecan-6-yldisulfanyl]-2-pentylheptyl] acetate

Drug info:

PubChemData

Smile

C1[C@H](O1)CCCCC=CI

DOS

IR

Vibrations