Geometry & MOs

Info

ID:

83339

PubChem CID:

49857467

Reduced:

IO2C10H17 (1)

Stoich.:

AB2C10D17 (1)

Weight, g/mol:

674.457781

ΔHf, kcal/mol:

-94.0

Dipole, Da:

3.02

IP(EA), eV:

-9.37(-0.64)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (E,3S,8S)-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](CC/C=C(\C)/I)CC(=O)OC

DOS

IR

Vibrations