Geometry & MOs

Info

ID:

316437

PubChem CID:

126630913

Reduced:

ON2H14C25 (3)

Stoich.:

AB2C14D25 (3)

Weight, g/mol:

579.305684

ΔHf, kcal/mol:

300.64

Dipole, Da:

0.31

IP(EA), eV:

 -8.31(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,11S,14S,22E)-2,11-dimethyl-14-propan-2-yl-3,19-dioxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC(=N5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=C7C=C1C2=CC=CC=C2OC1=C9)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C=C1C4=CC=CC=C4OC1=C2)C=C1C2=CC=CC=C2OC1=C3

DOS

IR

Vibrations