Geometry & MOs

Info

ID:	2128
PubChem CID:	5905
Reduced:	IN2O5C9H11 (1)
Stoich.:	AB2C5D9E11 (1)
Weight, g/mol:	353.97127
ΔH_f, kcal/mol:	-194.35
Dipole, Da:	3.36
IP(EA), eV:	-9.76(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O

DOS

IR

Vibrations