Geometry & MOs

Info

ID:	409536
PubChem CID:	135082318
Reduced:	C12H17 (2)
Stoich.:	A12B17 (2)
Weight, g/mol:	438.147593
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	0.11
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,16-dithiaheptacyclo[16.11.1.14,26.06,25.019,28.022,27.029,31]hentriaconta-1(30),2,4,6(25),18,20,22(27),23,26(31),28-decaene

Drug info:

PubChemData

Smile

C1CCCCCCCC2=CC3=C(C=C2)C=C(CCCCCC1)C=C3

DOS

IR

Vibrations