Geometry & MOs

Info

ID:	264661
PubChem CID:	103481198
Reduced:	BrNSCl2O2C10H12 (1)
Stoich.:	ABCD2E2F10G12 (1)
Weight, g/mol:	339.96142
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	1.97
IP(EA), eV:	-9.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2-bromo-3-chloroanilino)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)NS(=O)(=O)CCCCCl

DOS

IR

Vibrations