Geometry & MOs

Info

ID:	438346
PubChem CID:	135228079
Reduced:	BrSO2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	168.112585
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	1.2
IP(EA), eV:	-9.13(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trifluoro-2,2,4-trimethylpentane

Drug info:

PubChemData

Smile

CC1(OCC(O1)CC2(CC2)SBr)C

DOS

IR

Vibrations