Geometry & MOs

Info

ID:	427039
PubChem CID:	135155165
Reduced:	SO3F4H8C9 (1)
Stoich.:	AB3C4D8E9 (1)
Weight, g/mol:	603.219019
ΔH_f, kcal/mol:	-315.45
Dipole, Da:	2.03
IP(EA), eV:	-10.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=C(C=CC(=C1)C(F)(F)F)F

DOS

IR

Vibrations