Geometry & MOs

Info

ID:

308941

PubChem CID:

126532279

Reduced:

N2O3C13H14 (2)

Stoich.:

A2B3C13D14 (2)

Weight, g/mol:

570.196171

ΔHf, kcal/mol:

-167.5

Dipole, Da:

7.88

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[(2E)-2-[5-[5-(ethylaminomethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC/C(=C/[N+]#N)/[O-])NC(=O)C(C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations