Geometry & MOs

Info

ID:	126423
PubChem CID:	50964529
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	391.123129
ΔH_f, kcal/mol:	14.37
Dipole, Da:	1.46
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2,4-difluoro-3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(C)C(=O)CC2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations