Geometry & MOs

Info

ID:

378801

PubChem CID:

134224901

Reduced:

OSF4N7H19C20 (1)

Stoich.:

ABC4D7E19F20 (1)

Weight, g/mol:

513.120621

ΔHf, kcal/mol:

-110.39

Dipole, Da:

3.15

IP(EA), eV:

 -8.83(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopropylsulfonyl-3-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1SN2CC(C2)(C(=O)NCC(F)(F)F)NC3=NC(=NC=C3F)C4=CNC5=C4C=CC=N5

DOS

IR

Vibrations