Geometry & MOs

Info

ID:	394248
PubChem CID:	135022631
Reduced:	NSBr2O2H13C18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	422.99286
ΔH_f, kcal/mol:	3.59
Dipole, Da:	4.25
IP(EA), eV:	-9.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-naphthalen-2-ylsulfonylphenyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=N3)Br

DOS

IR

Vibrations