Geometry & MOs

Info

ID:	163639
PubChem CID:	58106490
Reduced:	SH6C10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	358.081622
ΔH_f, kcal/mol:	164.84
Dipole, Da:	1.62
IP(EA), eV:	-7.68(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-phenyl-13-thiahexacyclo[9.8.2.02,7.08,20.012,16.017,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CCC1=CC2=C3C=CC4=C5C(=C6C4=C3C(=C2S1)C=C6)C=CS5

DOS

IR

Vibrations