Geometry & MOs

Info

ID:	229899
PubChem CID:	87569475
Reduced:	S2F6H6O6C9 (1)
Stoich.:	A2B6C6D6E9 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-501.81
Dipole, Da:	4.99
IP(EA), eV:	-10.07(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyloctyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OS(=O)(=O)C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F

DOS

IR

Vibrations