Geometry & MOs

Info

ID:

871

PubChem CID:

3460

Reduced:

N2O9C29H40 (1)

Stoich.:

A2B9C29D40 (1)

Weight, g/mol:

560.273381

ΔHf, kcal/mol:

-339.57

Dipole, Da:

1.74

IP(EA), eV:

 -9.64(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations