Geometry & MOs

Info

ID:	170751
PubChem CID:	75276412
Reduced:	ClN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	475.251621
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	4.61
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;tetradecanoic acid

Drug info:

PubChemData

Smile

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=CN=C4)Cl)O)O

DOS

IR

Vibrations