Geometry & MOs

Info

ID:	401602
PubChem CID:	135051814
Reduced:	S2H12C17 (1)
Stoich.:	A2B12C17 (1)
Weight, g/mol:	320.087101
ΔH_f, kcal/mol:	75.44
Dipole, Da:	1.39
IP(EA), eV:	-8.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9lambda6-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),3,5,7,14,16,18,20-octaene 9,9-dioxide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)CC3=CSC4=CC=CC=C43

DOS

IR

Vibrations