Geometry & MOs

Info

ID:	6200
PubChem CID:	67452
Reduced:	SH12C20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	284.065972
ΔH_f, kcal/mol:	90.71
Dipole, Da:	1.03
IP(EA), eV:	-8.44(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(S3)C=CC5=CC=CC=C54

DOS

IR

Vibrations