Geometry & MOs

Info

ID:

316121

PubChem CID:

126630117

Reduced:

NO3C14H19 (1)

Stoich.:

AB3C14D19 (1)

Weight, g/mol:

545.263819

ΔHf, kcal/mol:

-62.89

Dipole, Da:

4.22

IP(EA), eV:

 -9.71(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,11S,18E)-2,11,17,17-tetramethyl-14-prop-2-ynyl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CC1C2CC(C(C2)O1)C(=O)C3CN4CC3C5C4O5

DOS

IR

Vibrations