Geometry & MOs

Info

ID:	67787
PubChem CID:	46507168
Reduced:	OS2N4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	50.83
Dipole, Da:	1.18
IP(EA), eV:	-8.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-5-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CS2)N3C1=NNC3=S

DOS

IR

Vibrations