Geometry & MOs

Info

ID:

7397

PubChem CID:

72425

Reduced:

O2N3C28H41 (1)

Stoich.:

A2B3C28D41 (1)

Weight, g/mol:

451.319878

ΔHf, kcal/mol:

-81.06

Dipole, Da:

6.68

IP(EA), eV:

 -8.29(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,9S,14R,17R)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C4C(=CC(=C23)N1C)[C@@](CC[C@]4(C)C=C)(C)C(C)C)CO

DOS

IR

Vibrations