Geometry & MOs

Info

ID:

322720

PubChem CID:

126670898

Reduced:

N2O8C15H26 (1)

Stoich.:

A2B8C15D26 (1)

Weight, g/mol:

587.12805

ΔHf, kcal/mol:

-378.55

Dipole, Da:

3.38

IP(EA), eV:

 -9.18(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CN)[C@H]([C@@H]([C@@H](CNC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations