Geometry & MOs

Info

ID:

221745

PubChem CID:

85286100

Reduced:

SO5N6C32H44 (1)

Stoich.:

AB5C6D32E44 (1)

Weight, g/mol:

616.170179

ΔHf, kcal/mol:

-148.02

Dipole, Da:

5.46

IP(EA), eV:

 -8.57(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8-ethylsulfanyl-13-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-12-oxo-14-oxa-13-azatetracyclo[6.5.1.01,10.02,7]tetradeca-2,4,6-triene-10-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3NC4CC5C(CC4C(=O)N3)N(C=N5)CC6=CC(=CC=C6)OC

DOS

IR

Vibrations