Geometry & MOs

Info

ID:

219295

PubChem CID:

85098516

Reduced:

ClF3O3N7C36H47 (1)

Stoich.:

AB3C3D7E36F47 (1)

Weight, g/mol:

740.189594

ΔHf, kcal/mol:

-284.41

Dipole, Da:

4.5

IP(EA), eV:

 -8.74(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-3-[1-(benzenesulfonyl)-6-(1,3-dithiolan-2-yl)-4-phenylmethoxyindol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)NC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

DOS

IR

Vibrations