Geometry & MOs

Info

ID:	237543
PubChem CID:	92719578
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	2.75
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)CCC(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations