Geometry & MOs

Info

ID:	130556
PubChem CID:	51091217
Reduced:	ClSO3N4C13H15 (1)
Stoich.:	ABC3D4E13F15 (1)
Weight, g/mol:	349.06538
ΔH_f, kcal/mol:	16.41
Dipole, Da:	4.36
IP(EA), eV:	-9.47(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-methylsulfonylpropylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCOC1=NN=C(S1)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations