Geometry & MOs

Info

ID:

308447

PubChem CID:

125333120

Reduced:

N4O5H24C28 (1)

Stoich.:

A4B5C24D28 (1)

Weight, g/mol:

447.215806

ΔHf, kcal/mol:

-101.89

Dipole, Da:

6.42

IP(EA), eV:

 -9.05(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,8R)-6-butyl-2-(2,4-dimethoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)C[C@H](C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=O

DOS

IR

Vibrations