Geometry & MOs

Info

ID:

316185

PubChem CID:

126630329

Reduced:

N5O6C35H47 (1)

Stoich.:

A5B6C35D47 (1)

Weight, g/mol:

581.321334

ΔHf, kcal/mol:

-213.65

Dipole, Da:

10.38

IP(EA), eV:

 -9.32(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,11S,14S,18E)-16-hydroxy-11-[(1R)-1-hydroxyethyl]-2,17,17-trimethyl-14-propan-2-yl-3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaene-4,10,13-trione

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)CC5CCOCC5)C(C)C)(C)C)C=C2

DOS

IR

Vibrations