Geometry & MOs

Info

ID:	163657
PubChem CID:	58106555
Reduced:	OSH14C22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	468.100643
ΔH_f, kcal/mol:	90.01
Dipole, Da:	2.05
IP(EA), eV:	-8.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-13,14-diphenyl-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=C(C2=C3C=CC4=C5C=CC=CC5=C6C4=C3C(=C2S1)C=C6)OC

DOS

IR

Vibrations