Geometry & MOs

Info

ID:	124642
PubChem CID:	50890834
Reduced:	BrNSCl3O3H11C15 (1)
Stoich.:	ABCD3E3F11G15 (1)
Weight, g/mol:	494.86369
ΔH_f, kcal/mol:	-87.46
Dipole, Da:	2.46
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-bromophenyl)sulfonyl-2-iodoanilino)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations