Geometry & MOs

Info

ID:

215249

PubChem CID:

85084425

Reduced:

N3O9C44H61 (1)

Stoich.:

A3B9C44D61 (1)

Weight, g/mol:

776.33752

ΔHf, kcal/mol:

-327.83

Dipole, Da:

10.53

IP(EA), eV:

 -9.21(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-2,6-dimethyl-7-phenylselanyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,4-diol

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OCCCCC3=CC4=CC=CC=C4N=C3)N(C)C)O)CC=O)C)C)C#N

DOS

IR

Vibrations