Geometry & MOs

Info

ID:	163647
PubChem CID:	58106529
Reduced:	O2S2C39H42 (1)
Stoich.:	A2B2C39D42 (1)
Weight, g/mol:	540.100643
ΔH_f, kcal/mol:	9.65
Dipole, Da:	2.24
IP(EA), eV:	-8.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,13-dinaphthalen-1-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

CCCC1=CC=C(C=C1)C2=CC3=C(S2)C4=CC=C5C6=C(C=CC3=C46)C7=C(SC(=C57)CCCCOCC)CCCCOCC

DOS

IR

Vibrations