Geometry & MOs

Info

ID:	13596
PubChem CID:	395714
Reduced:	SO6C23H30 (1)
Stoich.:	AB6C23D30 (1)
Weight, g/mol:	434.17631
ΔH_f, kcal/mol:	-216.0
Dipole, Da:	5.13
IP(EA), eV:	-9.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-1-[2-(furan-3-yl)-1,3-dioxolan-2-yl]-5,7-dimethyloct-6-en-3-ol

Drug info:

PubChemData

Smile

CC(C=C(C)C)C(C(CCC1(OCCO1)C2=COC=C2)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations