Geometry & MOs

Info

ID:

442409

PubChem CID:

135251916

Reduced:

F2S2N3O7H29C32 (1)

Stoich.:

A2B2C3D7E29F32 (1)

Weight, g/mol:

586.134462

ΔHf, kcal/mol:

-281.93

Dipole, Da:

9.15

IP(EA), eV:

 -8.3(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-4-(methylsulfonylmethyl)anilino]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C=C2C4=C(C=CC(=C4)CS(=O)(=O)C)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations