Geometry & MOs

Info

ID:	124688
PubChem CID:	50892567
Reduced:	NSCl3O4H16C17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	403.963663
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	4.64
IP(EA), eV:	-9.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dichloro-N-(2-nitrophenyl)sulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN(C1=C(C=CC(=C1)Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations