Geometry & MOs

Info

ID:	124763
PubChem CID:	50895505
Reduced:	NSCl3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	420.970912
ΔH_f, kcal/mol:	-141.22
Dipole, Da:	9.4
IP(EA), eV:	-9.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations