Geometry & MOs

Info

ID:

230684

PubChem CID:

87571653

Reduced:

NOC26H50 (2)

Stoich.:

ABC26D50 (2)

Weight, g/mol:

542.227573

ΔHf, kcal/mol:

-259.44

Dipole, Da:

7.29

IP(EA), eV:

 -9.53(1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[4-[(2-fluoro-4-propan-2-yloxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

CCCCCC/C=C/CCCCCCCCC(CCCCCCC(CC)C(CC)(CC)C(CC)(CCCCCCCC/C=C/CCCCCC)C(=O)N)C(=O)N

DOS

IR

Vibrations