Geometry & MOs

Info

ID:	163651
PubChem CID:	58106538
Reduced:	SH20C29 (1)
Stoich.:	AB20C29 (1)
Weight, g/mol:	468.100643
ΔH_f, kcal/mol:	126.36
Dipole, Da:	0.55
IP(EA), eV:	-8.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,13-bis(4-methylphenyl)-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

CC1=CC=C(C=C1)C2=CC3=C4C=CC5=C6C(=CC(=CC6=C7C5=C4C(=C3S2)C=C7)C)C

DOS

IR

Vibrations