Geometry & MOs

Info

ID:	388720
PubChem CID:	134989991
Reduced:	ClNS2O5C8H8 (1)
Stoich.:	ABC2D5E8F8 (1)
Weight, g/mol:	288.9343
ΔH_f, kcal/mol:	21.45
Dipole, Da:	10.08
IP(EA), eV:	-9.41(-3.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-N-phenyl-1lambda4,2-dithia-4-azacyclopenta-3,5-diene-3,5-diamine

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SS(=N2)OCl(=O)(=O)=O

DOS

IR

Vibrations