Geometry & MOs

Info

ID:

49718

PubChem CID:

11533655

Reduced:

O4N6H20C29 (1)

Stoich.:

A4B6C20D29 (1)

Weight, g/mol:

516.235933

ΔHf, kcal/mol:

88.59

Dipole, Da:

8.8

IP(EA), eV:

 -9.21(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,4S,7S,8R,11R,12R,18R,20S,25R,28S)-1,7,12-trihydroxy-7,8,25,28-tetramethyl-2,5,9,19-tetraoxaoctacyclo[13.12.1.03,11.04,8.012,28.016,26.018,20.020,25]octacos-22-ene-6,24-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4N5C3=NN(C5=O)C6=CC=C(C=C6)[N+](=O)[O-]

DOS

IR

Vibrations