Geometry & MOs

Info

ID:	308437
PubChem CID:	125327980
Reduced:	N2O5C22H34 (2)
Stoich.:	A2B5C22D34 (2)
Weight, g/mol:	231.94835
ΔH_f, kcal/mol:	-425.9
Dipole, Da:	18.6
IP(EA), eV:	-6.39(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2R)-2-bromo-2,3-dihydrofuran-5-yl]-2H-1,3,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CC1C2CC3C(C(C(N3)CC4C5=CC=C([C@@H]([C@@]5(C(N4)CC6C(C(C(N6)CC(C1CCC(=O)OCCO)N2)CCC(=O)OCCO)C)C)C(=O)OC)C(=O)OC)C)C=C

DOS

IR

Vibrations