Geometry & MOs

Info

ID:	124758
PubChem CID:	50895317
Reduced:	SCl2N3O3C17H19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	406.955262
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	4.59
IP(EA), eV:	-9.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N(CC(=O)NN)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations