Geometry & MOs

Info

ID:	409391
PubChem CID:	135082172
Reduced:	BrMgSN2O2C5H7 (1)
Stoich.:	ABCD2E2F5G7 (1)
Weight, g/mol:	160.030649
ΔH_f, kcal/mol:	-84.03
Dipole, Da:	3.47
IP(EA), eV:	-7.46(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNC(=S)N(C1)C(=O)[O-].[Mg+2].[Br-]

DOS

IR

Vibrations