Geometry & MOs

Info

ID:	56219
PubChem CID:	17422657
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	293.062283
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	5.13
IP(EA), eV:	-9.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations