Geometry & MOs

Info

ID:	391553
PubChem CID:	135006459
Reduced:	NPF6H12C15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	222.038437
ΔH_f, kcal/mol:	-378.03
Dipole, Da:	14.12
IP(EA), eV:	-10.08(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(1,3-dithian-2-yl)-3,4-dihydroxybutan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3C=C2.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations