Geometry & MOs

Info

ID:

308651

PubChem CID:

126497262

Reduced:

O9C44H66 (1)

Stoich.:

A9B44C66 (1)

Weight, g/mol:

548.303893

ΔHf, kcal/mol:

-428.14

Dipole, Da:

2.09

IP(EA), eV:

 -9.19(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R,10S)-17-(cyclopropylmethyl)-13-(dibenzylamino)-4-methoxy-11-oxa-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5-trien-12-one

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=O)OC[C@]1([C@H](CC[C@]2(C1CC[C@@]3(C2CC=C4C3C[C@H](C5(C4CC([C@H]([C@@H]5O)OC(=O)/C(=C\C)/C)(C)C)COC(=O)/C(=C\C)/C)O)C)C)O)C

DOS

IR

Vibrations