Geometry & MOs

Info

ID:

44911

PubChem CID:

10506483

Reduced:

O4N8C27H34 (1)

Stoich.:

A4B8C27D34 (1)

Weight, g/mol:

499.161759

ΔHf, kcal/mol:

6.56

Dipole, Da:

3.68

IP(EA), eV:

 -8.18(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(18S)-18-ethyl-18-hydroxy-2-(pyridazin-1-ium-1-ylmethyl)-6,9,20-trioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17(22)-heptaene-19,23-dione

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)[C@@H](CC2=CC3=C(C=C2)OCCN3C)N=[N+]=[N-])[C@@H](CC4=CC5=C(C=C4)OCCN5C)N=[N+]=[N-])C

DOS

IR

Vibrations