Geometry & MOs

Info

ID:

220198

PubChem CID:

85165352

Reduced:

N3O7C39H47 (1)

Stoich.:

A3B7C39D47 (1)

Weight, g/mol:

669.366553

ΔHf, kcal/mol:

-225.16

Dipole, Da:

8.56

IP(EA), eV:

 -8.51(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23-benzoyl-22-benzyl-5,7,7,10,17,17,19,20-octamethyl-6,8,16,18-tetraoxa-23-azapentacyclo[12.10.0.01,21.05,9.015,19]tetracos-12-ene-2,24-dione

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)N3C(COC3=O)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations