Geometry & MOs

Info

ID:	124766
PubChem CID:	50895508
Reduced:	NSCl3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	451.94034
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	8.44
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations