Geometry & MOs

Info

ID:

321522

PubChem CID:

126666514

Reduced:

SP3C9O13H19 (1)

Stoich.:

AB3C9D13E19 (1)

Weight, g/mol:

581.146836

ΔHf, kcal/mol:

-784.13

Dipole, Da:

3.94

IP(EA), eV:

 -9.5(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-4-[[2-(ethylsulfonylamino)-5-methylpyridin-3-yl]methylamino]-6-[5-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)cyclohexa-2,5-dien-1-ylidene]-1,2-dihydropyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)OC2CC(OC2COP(=O)(O)OP(=O)(O)OP(=O)(O)O)S

DOS

IR

Vibrations