Geometry & MOs

Info

ID:

322702

PubChem CID:

126670853

Reduced:

BrN3O4C18H24 (1)

Stoich.:

AB3C4D18E24 (1)

Weight, g/mol:

616.14337

ΔHf, kcal/mol:

-161.25

Dipole, Da:

5.61

IP(EA), eV:

 -9.32(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-4-methoxypyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](N([C@@H]1C2)C(=O)OC(C)(C)C)C(=O)NC3=NC(=CC(=C3)OC)Br

DOS

IR

Vibrations