Geometry & MOs

Info

ID:	12110
PubChem CID:	130387
Reduced:	BSN2O3C4H5 (1)
Stoich.:	ABC2D3E4F5 (1)
Weight, g/mol:	172.011393
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	5.45
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxo-2-sulfanyl-1H-pyrimidin-5-yl)boronic acid

Drug info:

PubChemData

Smile

B(C1=CN=C(NC1=O)S)(O)O

DOS

IR

Vibrations