Geometry & MOs

Info

ID:	299088
PubChem CID:	117670797
Reduced:	NS3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	526.088364
ΔH_f, kcal/mol:	84.32
Dipole, Da:	3.45
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-methylspiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-thioxanthene]-7-thiol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC=C(S2)SCCC#N

DOS

IR

Vibrations