Geometry & MOs

Info

ID:

59447

PubChem CID:

24874865

Reduced:

SO3F4N4H16C25 (1)

Stoich.:

AB3C4D4E16F25 (1)

Weight, g/mol:

471.176736

ΔHf, kcal/mol:

-162.63

Dipole, Da:

6.1

IP(EA), eV:

 -9.64(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC2(C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F)C4=CC(=C(C=C4)F)C5=CN=CN=C5)N

DOS

IR

Vibrations