Geometry & MOs

Info

ID:

219813

PubChem CID:

85164922

Reduced:

PSNa2N5F6O7C15H16 (1)

Stoich.:

ABC2D5E6F7G15H16 (1)

Weight, g/mol:

602.06259

ΔHf, kcal/mol:

-757.47

Dipole, Da:

4.55

IP(EA), eV:

 -7.28(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 4-(4-methoxyphenyl)sulfonyl-8b-phenylselanyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)SCCC(F)(F)F)NCC(F)(F)F.[Na+].[Na+]

DOS

IR

Vibrations