Geometry & MOs

Info

ID:	67698
PubChem CID:	46506993
Reduced:	N2S2O4H10C11 (1)
Stoich.:	A2B2C4D10E11 (1)
Weight, g/mol:	271.077933
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	4.46
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)C2=CNC(=S)NC2=O

DOS

IR

Vibrations