Geometry & MOs

Info

ID:	6571
PubChem CID:	68911
Reduced:	O5C16H26 (1)
Stoich.:	A5B16C26 (1)
Weight, g/mol:	298.178024
ΔH_f, kcal/mol:	-174.58
Dipole, Da:	2.91
IP(EA), eV:	-8.91(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations