Geometry & MOs

Info

ID:

180182

PubChem CID:

76592648

Reduced:

F2O3N8C36H44 (1)

Stoich.:

A2B3C8D36E44 (1)

Weight, g/mol:

675.314473

ΔHf, kcal/mol:

-124.45

Dipole, Da:

8.3

IP(EA), eV:

 -9.06(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(difluoromethoxy)-N-[3-(4-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1(CCN(C1)CC(=O)N2CCC(CC2)C3=CC=C(C=C3)C4=NC=CC=N4)C(=O)NC5CCC6C(C5)C(NN6)C7=CC(=NC=C7)C(F)F

DOS

IR

Vibrations