Geometry & MOs

Info

ID:

414241

PubChem CID:

135087197

Reduced:

SF2O4N7C25H29 (1)

Stoich.:

AB2C4D7E25F29 (1)

Weight, g/mol:

389.177565

ΔHf, kcal/mol:

-143.92

Dipole, Da:

7.76

IP(EA), eV:

 -8.27(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-2,2-difluorocyclopropyl]-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)[C@@H]5CC5(F)F

DOS

IR

Vibrations