Geometry & MOs

Info

ID:

231222

PubChem CID:

87573043

Reduced:

PO2F3C34H68 (1)

Stoich.:

AB2C3D34E68 (1)

Weight, g/mol:

834.369173

ΔHf, kcal/mol:

-386.66

Dipole, Da:

52.18

IP(EA), eV:

-7.52(-0.7)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[4-[(2,5-difluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations