Geometry & MOs

Info

ID:	171836
PubChem CID:	75432664
Reduced:	SN2F3O3C14H15 (1)
Stoich.:	AB2C3D3E14F15 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-249.52
Dipole, Da:	2.69
IP(EA), eV:	-10.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=CN1CC(CC2=CC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations