Geometry & MOs

Info

ID:	11185
PubChem CID:	111602
Reduced:	NNaO2S2C7H12 (1)
Stoich.:	ABC2D2E7F12 (1)
Weight, g/mol:	229.020715
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	9.46
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(diethylcarbamothioylsulfanyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SCC(=O)[O-].[Na+]

DOS

IR

Vibrations