Geometry & MOs

Info

ID:	67775
PubChem CID:	46507146
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	45.3
Dipole, Da:	5.41
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)NC2=S

DOS

IR

Vibrations