Geometry & MOs

Info

ID:	312837
PubChem CID:	126609103
Reduced:	OH11C12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	331.982185
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	1.22
IP(EA), eV:	-8.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,15-dimethyl-3,7,14,18-tetrathiapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,10,15-hexaene

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C3)C5=C(O4)C=C(C=C5)C

DOS

IR

Vibrations