Geometry & MOs

Info

ID:

378743

PubChem CID:

134224839

Reduced:

N2O7C34H42 (1)

Stoich.:

A2B7C34D42 (1)

Weight, g/mol:

495.130043

ΔHf, kcal/mol:

-240.28

Dipole, Da:

4.39

IP(EA), eV:

 -9.29(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopropylsulfonyl-3-[[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

C1C2[C@@H](C(C(C(O2)OCCCCCCN(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N)O)OC(O1)C5=CC=CC=C5

DOS

IR

Vibrations