Geometry & MOs

Info

ID:	225888
PubChem CID:	87235931
Reduced:	BrS2N4O4H17C21 (1)
Stoich.:	AB2C4D4E17F21 (1)
Weight, g/mol:	270.0652
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	4.36
IP(EA), eV:	-8.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R,4R,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N/C(=C/3\C(=O)C4=C(C=CS4)N(C3=O)NCC5=CC(=CC=C5)Br)/NS2(O)O

DOS

IR

Vibrations