Geometry & MOs

Info

ID:	276958
PubChem CID:	103825963
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	7.2
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline

Drug info:

PubChemData

Smile

CC(C)C(C)S(=O)(=O)CC1=CC(=C(C=C1)OC)C#N

DOS

IR

Vibrations