Geometry & MOs

Info

ID:

437366

PubChem CID:

135226175

Reduced:

ClFSO4N6H20C23 (1)

Stoich.:

ABCD4E6F20G23 (1)

Weight, g/mol:

570.158245

ΔHf, kcal/mol:

-56.31

Dipole, Da:

4.54

IP(EA), eV:

 -9.26(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(4-chloro-1H-benzimidazol-5-yl)-2-fluorophenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

C1CN([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)OC(=O)CN4C5C(C(=N4)C(=O)N)N=CS5

DOS

IR

Vibrations