Geometry & MOs

Info

ID:

83340

PubChem CID:

49857468

Reduced:

SiO7C39H66 (1)

Stoich.:

AB7C39D66 (1)

Weight, g/mol:

674.457781

ΔHf, kcal/mol:

-422.82

Dipole, Da:

3.15

IP(EA), eV:

 -8.74(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E,3S,8R)-8-[(2S,4R,6S,8S,10S)-8-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypropyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-8-hydroxy-3,7-dimethyloct-6-enoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](O[C@]2(C1)C[C@@H](C[C@H](O2)[C@H](/C(=C/CC[C@H](C)CC(=O)OC)/C)O)C)[C@H]([C@@H](C)COCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations