Geometry & MOs

Info

ID:	14317
PubChem CID:	409097
Reduced:	BrOSN3C6H6 (1)
Stoich.:	ABCD3E6F6 (1)
Weight, g/mol:	246.9415
ΔH_f, kcal/mol:	49.91
Dipole, Da:	2.9
IP(EA), eV:	-9.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-1-oxidopyridin-1-ium-3-yl) carbamimidothioate

Drug info:

PubChemData

Smile

C1=C(C=[N+](C=C1Br)[O-])SC(=N)N

DOS

IR

Vibrations