Geometry & MOs

Info

ID:	44215
PubChem CID:	10502036
Reduced:	SO6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	416.219889
ΔH_f, kcal/mol:	-175.24
Dipole, Da:	4.34
IP(EA), eV:	-9.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropyl)-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-ol

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H]2[C@H]([C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4)OCS[C@H](O2)C5=CC=CC=C5

DOS

IR

Vibrations