Geometry & MOs

Info

ID:	67458
PubChem CID:	46506514
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	284.073182
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	1.58
IP(EA), eV:	-8.73(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pteridin-4-one

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=NC=CN=C2NC1=S

DOS

IR

Vibrations