Geometry & MOs

Info

ID:	394211
PubChem CID:	135022537
Reduced:	O7C23H24 (1)
Stoich.:	A7B23C24 (1)
Weight, g/mol:	372.97721
ΔH_f, kcal/mol:	-196.37
Dipole, Da:	5.38
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(benzenesulfonyl)-2-bromophenyl]pyridine

Drug info:

PubChemData

Smile

COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)O[C@@H](CC(=O)O2)C5=CC=CC=C5

DOS

IR

Vibrations