Geometry & MOs

Info

ID:	225594
PubChem CID:	85856290
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	350.90233
ΔH_f, kcal/mol:	-174.83
Dipole, Da:	2.34
IP(EA), eV:	-10.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-nitrothioxanthene-9-thione

Drug info:

PubChemData

Smile

CC(=CC(CO)O)C(=O)OC

DOS

IR

Vibrations