Geometry & MOs

Info

ID:

415739

PubChem CID:

135088739

Reduced:

O3N4C20H20 (1)

Stoich.:

A3B4C20D20 (1)

Weight, g/mol:

750.350776

ΔHf, kcal/mol:

-33.18

Dipole, Da:

4.73

IP(EA), eV:

 -9.77(-1.12)

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]-1-(4-chlorophenyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations