Geometry & MOs

Info

ID:

231450

PubChem CID:

87573757

Reduced:

PSF3O3C20H42 (1)

Stoich.:

ABC3D3E20F42 (1)

Weight, g/mol:

538.252645

ΔHf, kcal/mol:

-333.11

Dipole, Da:

27.74

IP(EA), eV:

 -9.0(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)(CCCCCC)[PH3+].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations