Geometry & MOs

Info

ID:	280540
PubChem CID:	103849810
Reduced:	ClNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	346.01643
ΔH_f, kcal/mol:	-166.73
Dipole, Da:	2.9
IP(EA), eV:	-9.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC(=C(C=C2)O)Cl)O

DOS

IR

Vibrations