Geometry & MOs

Info

ID:	21449
PubChem CID:	588353
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-143.32
Dipole, Da:	4.42
IP(EA), eV:	-9.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

CC=CCN(CC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations