Geometry & MOs

Info

ID:

436739

PubChem CID:

135208937

Reduced:

BrN2H25C42 (1)

Stoich.:

AB2C25D42 (1)

Weight, g/mol:

862.288196

ΔHf, kcal/mol:

213.54

Dipole, Da:

2.46

IP(EA), eV:

 -8.27(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,30-dihydroxy-17,22-bis(1-hydroxy-6-oxopyridine-2-carbonyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-2,7,10,12,27,29-hexone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)N7C8=C(C=C(C=C8)C9=CC(=CC=C9)Br)C1=C7C6=CC=C1

DOS

IR

Vibrations