Geometry & MOs

Info

ID:	143416
PubChem CID:	53205894
Reduced:	ClO2S2N5C20H22 (1)
Stoich.:	AB2C2D5E20F22 (1)
Weight, g/mol:	396.08116
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	7.47
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)CC=C

DOS

IR

Vibrations