Geometry & MOs

Info

ID:	229647
PubChem CID:	87568296
Reduced:	SO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	480.490631
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	8.66
IP(EA), eV:	-9.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyloctyl 2-octyldodecanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)O)OCCCC=C

DOS

IR

Vibrations