Geometry & MOs

Info

ID:	16256
PubChem CID:	462816
Reduced:	N2O5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	256.105922
ΔH_f, kcal/mol:	-225.84
Dipole, Da:	6.16
IP(EA), eV:	-9.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)O

DOS

IR

Vibrations