Geometry & MOs

Info

ID:

181805

PubChem CID:

76795532

Reduced:

O5C31H50 (1)

Stoich.:

A5B31C50 (1)

Weight, g/mol:

680.440052

ΔHf, kcal/mol:

-285.53

Dipole, Da:

4.14

IP(EA), eV:

 -9.61(1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[8-(1,2-dihydroxy-2-methylpropyl)-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl]oxy]morpholin-4-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1CC(OC2C1C3(CCC45CC46CCC(C(C6CCC5C3(C2O)C)(C)C)O)C)C(C)(C)OC(=O)C

DOS

IR

Vibrations