Geometry & MOs

Info

ID:

393609

PubChem CID:

135021192

Reduced:

NSeC18H23 (1)

Stoich.:

ABC18D23 (1)

Weight, g/mol:

542.324763

ΔHf, kcal/mol:

33.6

Dipole, Da:

2.57

IP(EA), eV:

-8.41(-0.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4aS,6aR,11aR,11bR)-9-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,11b-dimethyl-1,2,4a,6a,11,11a-hexahydroindeno[2,1-f]isochromen-4-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](CNCC1=CC=CC=C1)[Se]C2=CC=CC=C2

DOS

IR

Vibrations