Geometry & MOs

Info

ID:

378740

PubChem CID:

134224836

Reduced:

N4O8C35H42 (1)

Stoich.:

A4B8C35D42 (1)

Weight, g/mol:

323.076871

ΔHf, kcal/mol:

-217.91

Dipole, Da:

3.87

IP(EA), eV:

 -9.36(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-thia-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)O)(COCCCCCCN(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=[N+]=[N-]

DOS

IR

Vibrations