Geometry & MOs

Info

ID:	67435
PubChem CID:	46506474
Reduced:	SCl2N2O2H10C17 (1)
Stoich.:	AB2C2D2E10F17 (1)
Weight, g/mol:	343.018225
ΔH_f, kcal/mol:	-0.41
Dipole, Da:	4.39
IP(EA), eV:	-9.16(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)NC2=S)Cl

DOS

IR

Vibrations