Geometry & MOs

Info

ID:	67481
PubChem CID:	46506554
Reduced:	FSCl2N3O3C18H18 (1)
Stoich.:	ABC2D3E3F18G18 (1)
Weight, g/mol:	302.083747
ΔH_f, kcal/mol:	-130.59
Dipole, Da:	1.94
IP(EA), eV:	-9.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)N1CC2=C(C=C(C=C2)F)Cl)CC(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations