Geometry & MOs

Info

ID:	6536
PubChem CID:	68827
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	6.91
IP(EA), eV:	-9.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C

DOS

IR

Vibrations