Geometry & MOs

Info

ID:	383546
PubChem CID:	134975333
Reduced:	O3C6H10 (1)
Stoich.:	A3B6C10 (1)
Weight, g/mol:	450.37091
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	4.21
IP(EA), eV:	-10.26(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6R,11R,12S,13R)-11-[(2S)-2-hydroxybutyl]-6,10,10-trimethyl-5-octyl-14-oxatetracyclo[7.5.0.01,13.02,6]tetradecane-11,12-diol

Drug info:

PubChemData

Smile

C1CC2C(O2)[C@H]([C@H]1O)O

DOS

IR

Vibrations