Geometry & MOs

Info

ID:	124725
PubChem CID:	50894101
Reduced:	SN2Cl3O6H9C14 (1)
Stoich.:	AB2C3D6E9F14 (1)
Weight, g/mol:	451.94034
ΔH_f, kcal/mol:	-128.91
Dipole, Da:	4.23
IP(EA), eV:	-10.3(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-nitroanilino)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations