Geometry & MOs

Info

ID:	124630
PubChem CID:	50890100
Reduced:	BrNSCl2O3H10C14 (1)
Stoich.:	ABCD2E3F10G14 (1)
Weight, g/mol:	382.98269
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	6.81
IP(EA), eV:	-9.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-N-(4-methylphenyl)sulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations