Geometry & MOs

Info

ID:

220940

PubChem CID:

85244560

Reduced:

O9H22C28 (1)

Stoich.:

A9B22C28 (1)

Weight, g/mol:

502.181212

ΔHf, kcal/mol:

-261.49

Dipole, Da:

6.53

IP(EA), eV:

 -8.96(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-[7-methyl-5-(propanoylamino)-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC(=O)C1C2=C(C3=CC=CC=C3C4=CC=CC=C42)C5(C1=C(C(=O)C5C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations