Geometry & MOs

Info

ID:	393415
PubChem CID:	135020488
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	414.171224
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	4.74
IP(EA), eV:	-10.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1'S,3'R,4'R,4'aS,8'aR)-4'-(furan-2-yl)-3'-hydroxy-4'a,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydro-1H-naphthalene]-1'-yl] methanesulfonate

Drug info:

PubChemData

Smile

C#CC[C@]12CCC(=O)C=C1CCCC2=O

DOS

IR

Vibrations