Geometry & MOs

Info

ID:	47236
PubChem CID:	10530809
Reduced:	Cl2S2O3N5H15C24 (1)
Stoich.:	A2B2C3D5E15F24 (1)
Weight, g/mol:	556.116309
ΔH_f, kcal/mol:	105.36
Dipole, Da:	6.79
IP(EA), eV:	-8.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[3-(4-ethylphenyl)sulfonyl-5-fluoro-2,6-dioxopyrimidin-1-yl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(C(=O)N2C3=NN=C(S3)CN4C5=CC=CC=C5SC6=C4C=C(C=C6)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations