Geometry & MOs

Info

ID:	143417
PubChem CID:	53206515
Reduced:	ClOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	59.98
Dipole, Da:	1.11
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-5-[(3-methoxyphenyl)methylsulfanyl]-1-methylpyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations