Geometry & MOs

Info

ID:	406448
PubChem CID:	135077660
Reduced:	LiMgCl2H5C6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	377.109707
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	6.57
IP(EA), eV:	-9.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2,3-dihydroxypropyl]-N-[3-(4-fluorophenyl)prop-2-ynyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

[Li+].C1=CC=[C-]C=C1.[Mg+2].[Cl-].[Cl-]

DOS

IR

Vibrations