Geometry & MOs

Info

ID:	68419
PubChem CID:	46508373
Reduced:	ClSO2N6C20H21 (1)
Stoich.:	ABC2D6E20F21 (1)
Weight, g/mol:	412.166808
ΔH_f, kcal/mol:	57.75
Dipole, Da:	5.66
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=N1)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

DOS

IR

Vibrations