Geometry & MOs

Info

ID:	393478
PubChem CID:	135020733
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	328.141679
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	1.44
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfanyl]pyrimidine

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@H]1C2=C(C3=C(C=CC=N3)C=C2)O)CO)O

DOS

IR

Vibrations