Geometry & MOs

Info

ID:	236367
PubChem CID:	92712541
Reduced:	BrN4O6H15C22 (1)
Stoich.:	AB4C6D15E22 (1)
Weight, g/mol:	510.0175
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	4.41
IP(EA), eV:	-9.41(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-3-acetyl-5-(5-bromopyridin-3-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC(=CN=C2)Br)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations