Geometry & MOs

Info

ID:

392751

PubChem CID:

135017842

Reduced:

N2O7H14C19 (2)

Stoich.:

A2B7C14D19 (2)

Weight, g/mol:

762.144552

ΔHf, kcal/mol:

-280.11

Dipole, Da:

36.31

IP(EA), eV:

 -6.54(-4.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15R,16S,18R,32R)-13,30-didiazonio-16,33-diethyl-1,4,9,15,18,21,26,32-octahydroxy-6,23-dioxo-17,36-dioxadecacyclo[31.2.1.02,14.03,12.05,10.016,35.018,34.019,31.020,29.022,27]hexatriaconta-2,4,7,9,11,13,19,21,24,26,28,30-dodecaene-11,28-diolate

Drug info:

PubChemData

Smile

CCC1([C@H](C(=O)C2=C3C(=C(C4=C(C=CC(=O)C4=C3O)O)O)C(=C2[C@H]1O)[N+]#N)C5C(=O)C6=C7C(=C(C8=C(C=CC(=O)C8=C7O)O)O)C(=C6[C@H](C5(CC)O)O)[N+]#N)O

DOS

IR

Vibrations