Geometry & MOs

Info

ID:	315625
PubChem CID:	126628258
Reduced:	ClN2O6C10H13 (1)
Stoich.:	AB2C6D10E13 (1)
Weight, g/mol:	374.04773
ΔH_f, kcal/mol:	-263.41
Dipole, Da:	5.01
IP(EA), eV:	-10.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5R)-2-[5-(bromomethyl)-2,4-dioxopyrimidin-1-yl]-5-ethyl-4-methyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1[C@H]2C([C@H]([C@H](O2)CO)O)O)CCl

DOS

IR

Vibrations