Geometry & MOs

Info

ID:	202692
PubChem CID:	79710055
Reduced:	BrFNSO2C12H17 (1)
Stoich.:	ABCDE2F12G17 (1)
Weight, g/mol:	276.077342
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	3.46
IP(EA), eV:	-9.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=CC(=C1)Br)F)S(=O)(=O)C

DOS

IR

Vibrations