Geometry & MOs

Info

ID:	48183
PubChem CID:	10537758
Reduced:	FOSN4H5C9 (1)
Stoich.:	ABCD4E5F9 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	74.25
Dipole, Da:	5.33
IP(EA), eV:	-9.22(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-1,2-dihydroxyhex-5-en-3-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=NN3C(=NC(=S)N3)O2

DOS

IR

Vibrations