Geometry & MOs

Info

ID:

83184

PubChem CID:

49857254

Reduced:

O5C17H22 (1)

Stoich.:

A5B17C22 (1)

Weight, g/mol:

700.539038

ΔHf, kcal/mol:

-166.44

Dipole, Da:

2.59

IP(EA), eV:

 -10.0(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-3-[(6R)-6-[(2S,3R)-3-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-7-hydroxy-8-methylnon-8-enyl]-2-[(4R)-3-hydroxy-2-methylnona-1,8-dien-4-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C([C@@]2(C=C([C@]1(O2)C)C)CC=C)C(=O)OCC

DOS

IR

Vibrations