Geometry & MOs

Info

ID:	176567
PubChem CID:	76066430
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	184.054715
ΔH_f, kcal/mol:	-134.19
Dipole, Da:	5.42
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-difluoro-1,2,5-trihydroxyhexan-3-one

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)OC1C(CC2=C(C=CC(=C2)Cl)NC1=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations