Geometry & MOs

Info

ID:

316117

PubChem CID:

126630109

Reduced:

NO6C22H29 (1)

Stoich.:

AB6C22D29 (1)

Weight, g/mol:

551.310769

ΔHf, kcal/mol:

-164.69

Dipole, Da:

1.82

IP(EA), eV:

 -9.1(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,14S,17R)-2,11,17-trimethyl-14-propan-2-yl-3-oxa-9,12,15,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),21,23,25,28-pentaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CC1/C(=C\C=C\C=C/C(=N1)[C@@H](C)OC(=O)C)/C=C/C2(COC(OC2)(C)C)C(=O)O

DOS

IR

Vibrations