Geometry & MOs

Info

ID:	26202
PubChem CID:	641064
Reduced:	FN2O5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	258.101585
ΔH_f, kcal/mol:	-183.36
Dipole, Da:	7.54
IP(EA), eV:	-9.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=NC(=O)C=CN1[C@H]2C[C@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)F

DOS

IR

Vibrations