Geometry & MOs

Info

ID:	321854
PubChem CID:	126667083
Reduced:	ON4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	275.036462
ΔH_f, kcal/mol:	84.76
Dipole, Da:	3.33
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylsulfonylpyrimidin-4-yl)-1,2-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NO2)C3=NC(=NC=C3)N

DOS

IR

Vibrations