Geometry & MOs

Info

ID:	67972
PubChem CID:	46507530
Reduced:	ClSO3N4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	246.046299
ΔH_f, kcal/mol:	18.62
Dipole, Da:	3.03
IP(EA), eV:	-9.07(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methylsulfanyl-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC4=NC(=NO4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations