Geometry & MOs

Info

ID:	122820
PubChem CID:	50823082
Reduced:	SN3O4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	406.99393
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	5.42
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(=N3)COC4=CC=CC=C4

DOS

IR

Vibrations