Geometry & MOs

Info

ID:

419823

PubChem CID:

135109193

Reduced:

N2O8C31H34 (1)

Stoich.:

A2B8C31D34 (1)

Weight, g/mol:

643.369347

ΔHf, kcal/mol:

-170.65

Dipole, Da:

8.79

IP(EA), eV:

 -8.12(-0.91)

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-(dimethylamino)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCOCCOC3=CC=C(C=C3)C4C5=CC(=C(C=C5CCN4C(=O)C2)OC)OC)O

DOS

IR

Vibrations