Geometry & MOs

Info

ID:

230563

PubChem CID:

87571371

Reduced:

ClO2N3C18H20 (1)

Stoich.:

AB2C3D18E20 (1)

Weight, g/mol:

812.38368

ΔHf, kcal/mol:

-10.47

Dipole, Da:

6.46

IP(EA), eV:

 -8.95(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[1-(cyclopropylmethyl)-4-[(3-fluoro-4-methylphenyl)methyl]-5-methylpyrazol-3-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CNC1(CC1)CN(C)C2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations