Geometry & MOs

Info

ID:	67791
PubChem CID:	46507173
Reduced:	OS2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	334.06551
ΔH_f, kcal/mol:	31.09
Dipole, Da:	4.81
IP(EA), eV:	-8.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methyl]-1-ethyl-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=CS3

DOS

IR

Vibrations