Geometry & MOs

Info

ID:	394249
PubChem CID:	135022632
Reduced:	BrNSO2H14C21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	417.96229
ΔH_f, kcal/mol:	28.0
Dipole, Da:	5.57
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-5-(4-nitrophenyl)sulfonylphenyl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CC(=C(C=C3)Br)C4=CC=CC=N4

DOS

IR

Vibrations