Geometry & MOs

Info

ID:

162721

PubChem CID:

57551587

Reduced:

SF2N6O6C29H32 (1)

Stoich.:

AB2C6D6E29F32 (1)

Weight, g/mol:

643.238845

ΔHf, kcal/mol:

-258.53

Dipole, Da:

5.94

IP(EA), eV:

 -8.76(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1C(=O)NC2=C(C=CC(=C2)N3CCOCC3)C(=O)NC4=NNC5=C4CN(CC5)S(=O)(=O)C6=CC(=CC(=C6)F)F

DOS

IR

Vibrations