Geometry & MOs

Info

ID:	16104
PubChem CID:	459912
Reduced:	IN2O5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	367.98692
ΔH_f, kcal/mol:	-203.23
Dipole, Da:	4.63
IP(EA), eV:	-9.85(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations