Geometry & MOs

Info

ID:

299939

PubChem CID:

118014701

Reduced:

O4N7C28H29 (1)

Stoich.:

A4B7C28D29 (1)

Weight, g/mol:

387.215806

ΔHf, kcal/mol:

12.75

Dipole, Da:

6.7

IP(EA), eV:

 -8.61(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-13,14-dimethoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC1C=C(N=N1)CN(C2=CC3=NC(=CN=C3C=C2)C4=CN(N=C4)C)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations