Geometry & MOs

Info

ID:

424294

PubChem CID:

135122082

Reduced:

ClPN5O5C17H17 (1)

Stoich.:

ABC5D5E17F17 (1)

Weight, g/mol:

384.085855

ΔHf, kcal/mol:

-80.77

Dipole, Da:

5.16

IP(EA), eV:

 -8.74(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-amino-15-(3,4-dihydroxyphenyl)-5-oxo-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaene-12-carbonitrile

Drug info:

PubChemData

Smile

COP(=O)(C(C1=CN(N=N1)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations