Geometry & MOs

Info

ID:	380948
PubChem CID:	134971556
Reduced:	O3C11H20 (2)
Stoich.:	A3B11C20 (2)
Weight, g/mol:	402.298139
ΔH_f, kcal/mol:	-325.61
Dipole, Da:	3.0
IP(EA), eV:	-9.88(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S,7R,9R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9,10-trimethyl-3-propan-2-yloxyundec-10-ene-4,5,7-triol

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]1COC(O1)(C)C)[C@@H]([C@H]([C@H](CC(=O)C[C@@H](C)C(=C)C)O)O)OC(C)C

DOS

IR

Vibrations