Geometry & MOs

Info

ID:	236450
PubChem CID:	92713058
Reduced:	BrO3N4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	376.0171
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	5.53
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(5-bromo-2-methoxyphenyl)-2-pyrazin-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=C(C=CC(=C2)Br)OC)C3=NC=CN=C3

DOS

IR

Vibrations