Geometry & MOs

Info

ID:

179906

PubChem CID:

76553239

Reduced:

SF2O2N6C23H26 (1)

Stoich.:

AB2C2D6E23F26 (1)

Weight, g/mol:

587.225206

ΔHf, kcal/mol:

-56.37

Dipole, Da:

4.01

IP(EA), eV:

 -9.05(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

N-tert-butyl-N-[2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C=C2CN(CC2=N1)C3CC(C(N(C3)CC4=CC=CC=N4)C5=C(C=CC(=C5)F)F)N

DOS

IR

Vibrations