Geometry & MOs

Info

ID:	16427
PubChem CID:	468739
Reduced:	BrN2O5C10H11 (1)
Stoich.:	AB2C5D10E11 (1)
Weight, g/mol:	317.98513
ΔH_f, kcal/mol:	-181.64
Dipole, Da:	4.17
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoethenyl)-1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H](O1)CO)N2C=C(C(=O)NC2=O)C=CBr

DOS

IR

Vibrations