Geometry & MOs

Info

ID:	337569
PubChem CID:	127258192
Reduced:	ClFN5O5H19C20 (1)
Stoich.:	ABC5D5E19F20 (1)
Weight, g/mol:	261.076099
ΔH_f, kcal/mol:	-181.81
Dipole, Da:	6.63
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4Cl)N)OC(=O)C)F

DOS

IR

Vibrations