Geometry & MOs

Info

ID:	67789
PubChem CID:	46507171
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	290.083747
ΔH_f, kcal/mol:	-13.08
Dipole, Da:	3.47
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)NC(=S)N(C2=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations