Geometry & MOs

Info

ID:	177058
PubChem CID:	76131331
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	403.188054
ΔH_f, kcal/mol:	-153.94
Dipole, Da:	5.4
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-fluoro-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-5H-pyrimidin-3-ium-1-yl]ethyl heptanoate

Drug info:

PubChemData

Smile

CC1COC2=C(C1O)C(=C(C=C2)C3=CC(=CC(=C3)C)C(=O)O)C

DOS

IR

Vibrations