Geometry & MOs

Info

ID:	124781
PubChem CID:	50895779
Reduced:	ClSN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	358.955262
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	6.78
IP(EA), eV:	-9.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,4,5-trichloro-N-ethylsulfonylanilino)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC(=C(C=C1)Cl)C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations