Geometry & MOs

Info

ID:

423284

PubChem CID:

135119233

Reduced:

O3N4C21H28 (1)

Stoich.:

A3B4C21D28 (1)

Weight, g/mol:

599.368284

ΔHf, kcal/mol:

-77.54

Dipole, Da:

4.27

IP(EA), eV:

 -8.96(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-20-hydroxy-7,8-dimethyl-14-(3-methylbut-2-enyl)-10-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C(C)C(=O)N2CCCN(CC2)C(=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations