Geometry & MOs

Info

ID:

45130

PubChem CID:

10508221

Reduced:

SiN2O4C37H64 (1)

Stoich.:

AB2C4D37E64 (1)

Weight, g/mol:

628.228654

ΔHf, kcal/mol:

-269.59

Dipole, Da:

3.22

IP(EA), eV:

 -8.18(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R,4R,7R,8S,10Z,12R,13R,14S,16R,17S)-2,12,14-triacetyloxy-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-16-yl] butanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1O[C@]([C@H](C2)O/C(=C/[N+]#N)/[O-])(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations