Geometry & MOs

Info

ID:	426045
PubChem CID:	135135410
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	3.65
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(2S,5S)-5-[(2,6-dimethylpyridin-4-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)O[C@@H]2CCCN(C2)CC3=CN=C(S3)NC(=O)C

DOS

IR

Vibrations