Geometry & MOs

Info

ID:	122821
PubChem CID:	50823155
Reduced:	BrSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	455.98917
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	4.67
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations