Geometry & MOs

Info

ID:	43863
PubChem CID:	10321899
Reduced:	F3O3N4H21C23 (1)
Stoich.:	A3B3C4D21E23 (1)
Weight, g/mol:	458.099516
ΔH_f, kcal/mol:	-188.03
Dipole, Da:	8.53
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=CC=NC=C4)C(F)(F)F

DOS

IR

Vibrations