Geometry & MOs

Info

ID:	409393
PubChem CID:	135082174
Reduced:	SBr2Mg2N2O4C6H6 (1)
Stoich.:	AB2C2D2E4F6G6 (1)
Weight, g/mol:	204.020478
ΔH_f, kcal/mol:	-289.01
Dipole, Da:	6.23
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylidene-1,3-diazinane-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CN(C(=S)N(C1)C(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Br-].[Br-]

DOS

IR

Vibrations