Geometry & MOs

Info

ID:	315623
PubChem CID:	126628252
Reduced:	N3O6C16H23 (1)
Stoich.:	A3B6C16D23 (1)
Weight, g/mol:	332.03717
ΔH_f, kcal/mol:	-261.19
Dipole, Da:	6.09
IP(EA), eV:	-9.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2R,4S,5R)-5-ethyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H]1C2[C@@H]([C@@H](O1)N3C=C(C(=NC3=O)N)COC(=O)C)OC(O2)(C)C

DOS

IR

Vibrations