Geometry & MOs

Info

ID:	404093
PubChem CID:	135064953
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	316.06496
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	7.76
IP(EA), eV:	-9.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-bromo-1,1,1-trifluorododecan-5-one

Drug info:

PubChemData

Smile

CCC1C(O1)CNS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations