Geometry & MOs

Info

ID:	11996
PubChem CID:	125746
Reduced:	BN2O7C9H13 (1)
Stoich.:	AB2C7D9E13 (1)
Weight, g/mol:	272.081581
ΔH_f, kcal/mol:	-369.59
Dipole, Da:	7.37
IP(EA), eV:	-10.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)O)(O)O

DOS

IR

Vibrations