Geometry & MOs

Info

ID:	171835
PubChem CID:	75432663
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	348.075548
ΔH_f, kcal/mol:	-85.99
Dipole, Da:	3.0
IP(EA), eV:	-8.69(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylsulfonylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

COCCN(CCS(=O)(=O)C)C1=NC2=CC=CC=C2N1

DOS

IR

Vibrations