Geometry & MOs

Info

ID:

226024

PubChem CID:

87246633

Reduced:

FSCl2O6N13H36C50 (1)

Stoich.:

ABC2D6E13F36G50 (1)

Weight, g/mol:

511.993533

ΔHf, kcal/mol:

13.96

Dipole, Da:

6.58

IP(EA), eV:

 -8.88(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-cyano-2-methylphenyl)-3-(trifluoromethylsulfonyl)-1H-indol-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCOC2=CC=CC3=C2C(=O)N(C(=N3)CSC4=NC=NC5=C4NC=N5)C6=CC=CC=C6Cl.C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)COC(=O)N4C=NC5=C(N=CN=C54)N)Cl

DOS

IR

Vibrations