Geometry & MOs

Info

ID:	6563
PubChem CID:	68886
Reduced:	BrN2O5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	332.00078
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	6.01
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations