Geometry & MOs

Info

ID:

334972

PubChem CID:

127253778

Reduced:

ClN2O8H31C34 (1)

Stoich.:

AB2C8D31E34 (1)

Weight, g/mol:

460.17467

ΔHf, kcal/mol:

-267.19

Dipole, Da:

4.11

IP(EA), eV:

 -8.57(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(5-acetyl-11-methyl-6-oxo-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-8-yl)-2-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC4=C5C(=CC=C4)CCCN5C3=O)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations