Geometry & MOs

Info

ID:	68170
PubChem CID:	46507895
Reduced:	FO3N4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	388.173311
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	4.95
IP(EA), eV:	-8.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-1-[6-(3-fluorophenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C3NN=C4N3C=C(C=C4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations