Geometry & MOs

Info

ID:

442408

PubChem CID:

135251914

Reduced:

SF2N3O5C27H29 (1)

Stoich.:

AB2C3D5E27F29 (1)

Weight, g/mol:

669.141499

ΔHf, kcal/mol:

-246.18

Dipole, Da:

3.27

IP(EA), eV:

 -8.15(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[2-(2,4-difluoroanilino)-5-(methylsulfonylmethyl)phenyl]-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=CC2=C(C1=O)C3=C4[C@H]([C@H](CN3)CCC(=O)OC)N(CC4=CC2CS(=O)(=O)C)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations