Geometry & MOs

Info

ID:

178149

PubChem CID:

76285972

Reduced:

FPN2O9C10H14 (1)

Stoich.:

ABC2D9E10F14 (1)

Weight, g/mol:

1724.492321

ΔHf, kcal/mol:

-501.94

Dipole, Da:

6.59

IP(EA), eV:

 -10.5(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,11S,14R)-10-(benzenesulfonyl)-3-[(1S,11S,14R)-10-(benzenesulfonyl)-18-methyl-14-[[5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-5-oxopentoxy]carbonyloxymethyl]-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-14-yl]methyl [5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-5-oxopentyl] carbonate

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)F)O)O

DOS

IR

Vibrations