Geometry & MOs

Info

ID:	68143
PubChem CID:	46507829
Reduced:	ClO2N6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	465.188626
ΔH_f, kcal/mol:	-11.49
Dipole, Da:	6.91
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C3C(=N2)N=CN(C3=O)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations