Geometry & MOs

Info

ID:	36299
PubChem CID:	8001261
Reduced:	SN3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	300.077993
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	1.74
IP(EA), eV:	-8.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-]

DOS

IR

Vibrations