Geometry & MOs

Info

ID:	278124
PubChem CID:	103833588
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	4.87
IP(EA), eV:	-9.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-cyanoethyl(ethyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CNC(=O)CCN(C)S(=O)(=O)C1=CC=CC=C1C#N

DOS

IR

Vibrations