Geometry & MOs

Info

ID:	221315
PubChem CID:	85267627
Reduced:	O7C22H22 (1)
Stoich.:	A7B22C22 (1)
Weight, g/mol:	398.161054
ΔH_f, kcal/mol:	-241.85
Dipole, Da:	8.45
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2,3-dimethoxypropyl)-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3C)O)OC

DOS

IR

Vibrations