Geometry & MOs

Info

ID:

322683

PubChem CID:

126670806

Reduced:

IO3N5C27H32 (1)

Stoich.:

AB3C5D27E32 (1)

Weight, g/mol:

580.215821

ΔHf, kcal/mol:

-56.42

Dipole, Da:

3.55

IP(EA), eV:

 -8.48(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C=C3)I)N(C)C4=CC=CC=C4)NC(=O)OC

DOS

IR

Vibrations