Geometry & MOs

Info

ID:

437716

PubChem CID:

135226881

Reduced:

SF2N3O3H21C24 (1)

Stoich.:

AB2C3D3E21F24 (1)

Weight, g/mol:

676.277347

ΔHf, kcal/mol:

-87.68

Dipole, Da:

1.98

IP(EA), eV:

 -8.36(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-[2-[2-ethoxy-3-ethyl-3-(2-methylprop-2-enoyloxy)-6-propan-2-yloxythian-4-yl]ethylsulfanyl]-5-(2-methylprop-2-enoyloxy)-5-propan-2-yl-1,3-oxathiepane-7-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4CCC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations