Geometry & MOs

Info

ID:	126288
PubChem CID:	50958522
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	393.135842
ΔH_f, kcal/mol:	33.69
Dipole, Da:	4.51
IP(EA), eV:	-8.55(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-ol

Drug info:

PubChemData

Smile

CC(CCN1CCOCC1)N2C=NC(=C2C3=CSC=C3)C4=CC=CC=C4

DOS

IR

Vibrations