Geometry & MOs

Info

ID:	394247
PubChem CID:	135022630
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	466.90133
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	5.05
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-5-(4-bromophenyl)sulfonyl-4-methylphenyl]pyridine

Drug info:

PubChemData

Smile

C=CC[C@@]1(C=COC1=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations