Geometry & MOs

Info

ID:	9307
PubChem CID:	87838
Reduced:	NO3S3C6H13 (1)
Stoich.:	AB3C3D6E13 (1)
Weight, g/mol:	243.005757
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	4.98
IP(EA), eV:	-8.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylcarbamothioylsulfanyl)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CN(C)C(=S)SCCCS(=O)(=O)O

DOS

IR

Vibrations