Geometry & MOs

Info

ID:	126949
PubChem CID:	50985091
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	5.17
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C=NC3=C(C2=O)C4=C(S3)CNCC4

DOS

IR

Vibrations