Geometry & MOs

Info

ID:

312254

PubChem CID:

126603907

Reduced:

FNO2H11C17 (2)

Stoich.:

ABC2D11E17 (2)

Weight, g/mol:

980.490905

ΔHf, kcal/mol:

-106.18

Dipole, Da:

7.1

IP(EA), eV:

 -8.58(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-3-[2-[[2-[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxyacetyl]oxymethyl]-3-[2-(6,6-difluorocyclooct-4-yn-1-yl)oxyacetyl]oxy-2-methylpropoxy]carbonyloxy-5-phenylpentyl]-3,5-dihydroxycyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=C(C(=O)N2)O)C3=CC(=CC=C3)OC4=CC(=C(NC4=O)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

DOS

IR

Vibrations