Geometry & MOs

Info

ID:

326052

PubChem CID:

126686237

Reduced:

NO2C8H9 (3)

Stoich.:

AB2C8D9 (3)

Weight, g/mol:

451.114628

ΔHf, kcal/mol:

-204.32

Dipole, Da:

9.08

IP(EA), eV:

 -8.66(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-15-[(2-hydroxyethylamino)methyl]-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CN5CCC(C5)OC

DOS

IR

Vibrations