Geometry & MOs

Info

ID:	151607
PubChem CID:	55161633
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	282.05375
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	3.77
IP(EA), eV:	-9.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(trifluoromethylsulfonyl)phenyl]butan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC2=NC=C(C=C2)S(=O)(=O)N)O

DOS

IR

Vibrations