Geometry & MOs

Info

ID:

305234

PubChem CID:

124767730

Reduced:

O3F5N6H23C32 (1)

Stoich.:

A3B5C6D23E32 (1)

Weight, g/mol:

506.360739

ΔHf, kcal/mol:

-152.74

Dipole, Da:

5.68

IP(EA), eV:

 -9.46(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 5-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,4R)-2,4-diacetyl-3-methylpentanedioate

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)CN4[C@H]5[C@H](C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)N=N4)C7=CC=CC=C7

DOS

IR

Vibrations