Geometry & MOs

Info

ID:	284643
PubChem CID:	104057024
Reduced:	ClN2S2O4C11H15 (1)
Stoich.:	AB2C2D4E11F15 (1)
Weight, g/mol:	336.000527
ΔH_f, kcal/mol:	-135.09
Dipole, Da:	4.13
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-carbamothioyl-3-chlorophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=S)N)Cl)S(=O)(=O)N(CCO)CCO

DOS

IR

Vibrations