Geometry & MOs

Info

ID:	179818
PubChem CID:	76535703
Reduced:	BrSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	271.068133
ΔH_f, kcal/mol:	40.97
Dipole, Da:	3.94
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

sodium;8-methyl-5-oxido-4-(prop-2-enylamino)pteridine-5,8-diium-6,7-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=NNC(=S)N)CC2)C)Br

DOS

IR

Vibrations