Geometry & MOs

Info

ID:	328487
PubChem CID:	126723241
Reduced:	SF2O4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	405.146677
ΔH_f, kcal/mol:	-294.34
Dipole, Da:	2.96
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 2,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CC(=C[C@]1([C@H](OC(O1)(C)C)[C@](COS)(C(F)F)O)C)C

DOS

IR

Vibrations