Geometry & MOs

Info

ID:	138741
PubChem CID:	52418893
Reduced:	FSN3O3C18H26 (1)
Stoich.:	ABC3D3E18F26 (1)
Weight, g/mol:	378.173013
ΔH_f, kcal/mol:	-169.17
Dipole, Da:	10.99
IP(EA), eV:	-7.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[(3-fluorophenyl)methyl]-[(7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)methyl]azanium

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC[C@H](C1)C(=O)NC[C@@H]2CCN(C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations