Geometry & MOs

Info

ID:	401493
PubChem CID:	135051439
Reduced:	Cl2S2O5H8C10 (1)
Stoich.:	A2B2C5D8E10 (1)
Weight, g/mol:	421.94684
ΔH_f, kcal/mol:	12.57
Dipole, Da:	13.84
IP(EA), eV:	-9.47(-3.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-bromo-4-(4-methylphenyl)-1,2lambda4-dithiacyclopenta-2,4-dien-3-yl]sulfanyl]-1-phenylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=S(S2)OCl(=O)(=O)=O)Cl

DOS

IR

Vibrations