Geometry & MOs

Info

ID:	297397
PubChem CID:	117616824
Reduced:	F3O3N7H22C26 (1)
Stoich.:	A3B3C7D22E26 (1)
Weight, g/mol:	260.046693
ΔH_f, kcal/mol:	-145.11
Dipole, Da:	4.57
IP(EA), eV:	-9.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)C4=NC(=CC(=N4)N[C@H]5CCNC5=O)C(=O)N

DOS

IR

Vibrations