Geometry & MOs

Info

ID:	284915
PubChem CID:	104082495
Reduced:	BrFO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-163.96
Dipole, Da:	3.19
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-propan-2-ylsulfanylhexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OC1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations