Geometry & MOs

Info

ID:	236451
PubChem CID:	92713059
Reduced:	BrO3N4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	404.01202
ΔH_f, kcal/mol:	-8.44
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-3-acetyl-2-pyrazin-2-yl-2H-1,3,4-oxadiazol-5-yl]-4-bromophenyl] acetate

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