Geometry & MOs

Info

ID:	124762
PubChem CID:	50895504
Reduced:	ClSN2O6H15C16 (1)
Stoich.:	ABC2D6E15F16 (1)
Weight, g/mol:	406.955262
ΔH_f, kcal/mol:	-132.01
Dipole, Da:	3.75
IP(EA), eV:	-9.66(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations