Geometry & MOs

Info

ID:	67455
PubChem CID:	46506509
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	260.036797
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	3.57
IP(EA), eV:	-8.88(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethyl)-2-sulfanylidene-1H-pteridin-4-one

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=C(C3=CC=CC=C3O2)NC1=S

DOS

IR

Vibrations