Geometry & MOs

Info

ID:

16444

PubChem CID:

469266

Reduced:

N2O9H22C28 (1)

Stoich.:

A2B9C22D28 (1)

Weight, g/mol:

530.13253

ΔHf, kcal/mol:

-263.03

Dipole, Da:

10.86

IP(EA), eV:

 -8.48(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(12,14-dioxo-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] formate

Drug info:

PubChemData

Smile

COC1C(OC(C(C1OC=O)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)OC5=O)CO

DOS

IR

Vibrations