Geometry & MOs

Info

ID:	163634
PubChem CID:	58106463
Reduced:	OS2H32C34 (1)
Stoich.:	AB2C32D34 (1)
Weight, g/mol:	540.100643
ΔH_f, kcal/mol:	68.67
Dipole, Da:	2.16
IP(EA), eV:	-8.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,13-dinaphthalen-2-yl-3,12-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,4,6,8,10,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CCCCC1=C2C3=C4C(=CC=C5C4=C(C=C3)C6=C5SC(=C6)C7=CC=CC=C7)C2=C(S1)CCCCOCC

DOS

IR

Vibrations