Geometry & MOs

Info

ID:	328451
PubChem CID:	126723100
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	200.068473
ΔH_f, kcal/mol:	-199.17
Dipole, Da:	3.92
IP(EA), eV:	-10.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,7R,8R,9R)-8,9-dihydroxy-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-one

Drug info:

PubChemData

Smile

C[C@H](C[C@H]1CC[C@H]2C(O1)(C[C@@H](O2)/C=C/C(=O)OC)CO)C#N

DOS

IR

Vibrations