Geometry & MOs

Info

ID:

222837

PubChem CID:

85332691

Reduced:

ClSN4O4C28H35 (1)

Stoich.:

ABC4D4E28F35 (1)

Weight, g/mol:

554.179933

ΔHf, kcal/mol:

-130.38

Dipole, Da:

7.51

IP(EA), eV:

 -8.9(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2,6-difluorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1COCCC1CC2CC3C4C(C2)SC(=NN4C=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl)N6CCOCC6

DOS

IR

Vibrations