Geometry & MOs

Info

ID:	124767
PubChem CID:	50895509
Reduced:	SN2Cl3O6H11C15 (1)
Stoich.:	AB2C3D6E11F15 (1)
Weight, g/mol:	479.97164
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	2.02
IP(EA), eV:	-9.67(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(2,4,5-trichloro-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

COC(=O)CN(C1=CC(=C(C=C1Cl)Cl)Cl)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations