Geometry & MOs

Info

ID:

382298

PubChem CID:

134973364

Reduced:

OC3H4 (9)

Stoich.:

AB3C4 (9)

Weight, g/mol:

574.259809

ΔHf, kcal/mol:

-355.92

Dipole, Da:

6.36

IP(EA), eV:

 -8.86(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (6Z,8R,9R,10R,11aR)-9-acetyloxy-10-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-8-propyl-5,8,9,10,11,11a-hexahydro-3H-cyclonona[e]oxasiline-6,7-dicarboxylate

Drug info:

PubChemData

Smile

CCC[C@H]/1[C@H]([C@@H](C[C@@H](C(=C)C/C(=C1/C(=O)OC)/C(=O)OC)O)OCC2=CC=C(C=C2)OC)OC(=O)C

DOS

IR

Vibrations