Geometry & MOs

Info

ID:	437592
PubChem CID:	135226639
Reduced:	BrSO2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	303.95575
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	1.55
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-methylthioxanthen-9-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC=O)SC2=CC=C(C=C2)Br

DOS

IR

Vibrations