Geometry & MOs

Info

ID:	231452
PubChem CID:	87573759
Reduced:	PSF3O3C19H40 (1)
Stoich.:	ABC3D3E19F40 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-352.86
Dipole, Da:	53.2
IP(EA), eV:	-8.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[(6-chloro-5-phenylpyridin-3-yl)oxymethyl]cyclopropyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[P+](CC)(CC)CC.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations