Geometry & MOs

Info

ID:	396432
PubChem CID:	135028410
Reduced:	SO5C6H12 (1)
Stoich.:	AB5C6D12 (1)
Weight, g/mol:	782.280324
ΔH_f, kcal/mol:	-236.01
Dipole, Da:	4.16
IP(EA), eV:	-9.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7,8,13,14-hexabutoxy-5,10,11,22-tetrathiaheptacyclo[13.6.1.04,20.06,19.09,18.012,17.016,21]docosa-1,3,6,8,12,14,16,18,20-nonaene

Drug info:

PubChemData

Smile

C([C@H]([C@@H]1C(C([C@H](O1)O)O)O)O)S

DOS

IR

Vibrations