Geometry & MOs

Info

ID:

418011

PubChem CID:

135103311

Reduced:

ClN2O3C18H23 (1)

Stoich.:

AB2C3D18E23 (1)

Weight, g/mol:

679.303079

ΔHf, kcal/mol:

-106.96

Dipole, Da:

4.74

IP(EA), eV:

 -9.33(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-14-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCCN(CC2)C(=O)COC3=CC(=CC=C3)Cl

DOS

IR

Vibrations