Geometry & MOs

Info

ID:

325998

PubChem CID:

126685953

Reduced:

N4O5C21H24 (1)

Stoich.:

A4B5C21D24 (1)

Weight, g/mol:

478.22162

ΔHf, kcal/mol:

-155.85

Dipole, Da:

8.52

IP(EA), eV:

 -8.71(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-15-[(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNCCN

DOS

IR

Vibrations