Geometry & MOs

Info

ID:

310118

PubChem CID:

126574793

Reduced:

FNSO2H12C15 (1)

Stoich.:

ABCD2E12F15 (1)

Weight, g/mol:

794.496898

ΔHf, kcal/mol:

-40.59

Dipole, Da:

7.02

IP(EA), eV:

 -9.45(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-[(E)-17-carboxy-6-(2,5-dioxooxolan-3-yl)heptadec-4-en-9-yl]-6,10-dimethyl-15,17-dioxo-20-propan-2-yl-16-oxapentacyclo[11.6.1.02,11.05,10.014,18]icosane-6-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C3C2=CC=C(C3)F

DOS

IR

Vibrations