Geometry & MOs

Info

ID:

418743

PubChem CID:

135106676

Reduced:

ClON5C22H24 (1)

Stoich.:

ABC5D22E24 (1)

Weight, g/mol:

723.359176

ΔHf, kcal/mol:

20.46

Dipole, Da:

5.32

IP(EA), eV:

 -8.62(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2,6-dimethoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC5=C(N4)C=CC(=C5)Cl

DOS

IR

Vibrations