Geometry & MOs

Info

ID:	224326
PubChem CID:	85341635
Reduced:	SO4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	326.24571
ΔH_f, kcal/mol:	-182.37
Dipole, Da:	3.47
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methoxymethoxy)-4-methylpentyl]-1,3,3a,4,5,5a,6,7,8,9-decahydroindeno[1,7a-c]furan-6-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)SC=C(CC(=O)OC)C(=O)OC)C)C

DOS

IR

Vibrations