Geometry & MOs

Info

ID:

443496

PubChem CID:

135259192

Reduced:

O2N7C17H19 (1)

Stoich.:

A2B7C17D19 (1)

Weight, g/mol:

657.317586

ΔHf, kcal/mol:

22.09

Dipole, Da:

7.94

IP(EA), eV:

 -8.92(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-7-[2-oxo-2-[4-[4-(triazol-1-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

Drug info:

PubChemData

Smile

C/C(=C\C(=C/1\C(=O)NC2(N1C=O)CCC2)\C)/NC3=NC=NC4=C3NC=N4

DOS

IR

Vibrations