Geometry & MOs

Info

ID:	52948
PubChem CID:	14709268
Reduced:	OSH14C18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	260.065972
ΔH_f, kcal/mol:	31.72
Dipole, Da:	1.84
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-thiapentacyclo[10.6.1.02,7.08,19.013,17]nonadeca-1(19),2,4,6,8,10,12,17-octaene

Drug info:

PubChemData

Smile

C1CSC=C1C(=O)C2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations