Geometry & MOs

Info

ID:	187715
PubChem CID:	77614007
Reduced:	SN2O6C13H14 (1)
Stoich.:	AB2C6D13E14 (1)
Weight, g/mol:	355.117963
ΔH_f, kcal/mol:	-169.71
Dipole, Da:	4.56
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-anilino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(NN1)C(=O)C=C(C(=O)O)O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations