Geometry & MOs

Info

ID:	140576
PubChem CID:	52722210
Reduced:	ClSN3O4C18H22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	3.24
IP(EA), eV:	-9.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(diethylamino)phenyl]-1-propanoylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C=CC=N3)Cl

DOS

IR

Vibrations