Geometry & MOs

Info

ID:	67454
PubChem CID:	46506508
Reduced:	SN4O5C26H30 (1)
Stoich.:	AB4C5D26E30 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	2.94
IP(EA), eV:	-8.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxypropyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)NCCC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations