Geometry & MOs

Info

ID:	383681
PubChem CID:	134975543
Reduced:	ClNOS2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	249.994464
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	6.61
IP(EA), eV:	-8.4(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-phenyl-1lambda4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

C1COCCN1C2=S(SC(=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations