Geometry & MOs

Info

ID:	390141
PubChem CID:	134997289
Reduced:	SO12C50H54 (1)
Stoich.:	AB12C50D54 (1)
Weight, g/mol:	234.069065
ΔH_f, kcal/mol:	-388.0
Dipole, Da:	9.08
IP(EA), eV:	-8.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4C(C(C(C(O4)SC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C)CO

DOS

IR

Vibrations