Geometry & MOs

Info

ID:	236385
PubChem CID:	92712634
Reduced:	BrSN3O5H16C21 (1)
Stoich.:	ABC3D5E16F21 (1)
Weight, g/mol:	354.09642
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	9.55
IP(EA), eV:	-9.52(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-3-acetyl-5-(1-benzofuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

DOS

IR

Vibrations