Geometry & MOs

Info

ID:

223884

PubChem CID:

85335700

Reduced:

FS2O4N9C28H30 (1)

Stoich.:

AB2C4D9E28F30 (1)

Weight, g/mol:

639.184621

ΔHf, kcal/mol:

-23.52

Dipole, Da:

12.57

IP(EA), eV:

 -8.79(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[N-[[2-(2-fluoroanilino)-6-[2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]pyrimidin-4-yl]amino]-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=NNC1=CC(=NC(=N1)NC2=CC(=CC=C2)F)NN=C(C)C3=CC=C(C=C3)S(=O)(=O)NC)C4=CC=C(C=C4)S(=O)(=O)NC

DOS

IR

Vibrations