Geometry & MOs

Info

ID:	398169
PubChem CID:	135032136
Reduced:	SO4H14C16 (2)
Stoich.:	AB4C14D16 (2)
Weight, g/mol:	280.182715
ΔH_f, kcal/mol:	-173.09
Dipole, Da:	4.17
IP(EA), eV:	-7.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-4(17),5,7(16)-trien-2-ol

Drug info:

PubChemData

Smile

COC1=C(C2=C3C(=C1)C4=CC(=C(C5=C4C6=C(S5)C(=C(C=C6C7=CC(=C(C(=C73)S2)OC)OC)OC)OC)OC)OC)OC

DOS

IR

Vibrations