Geometry & MOs

Info

ID:	13209
PubChem CID:	223183
Reduced:	SBr2N2O2H12C16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	455.89657
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	7.86
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1,6-dibromonaphthalen-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)S(=O)(=O)NC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

DOS

IR

Vibrations