Geometry & MOs

Info

ID:	175507
PubChem CID:	75911725
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	471.186164
ΔH_f, kcal/mol:	-137.2
Dipole, Da:	3.09
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC(=C2)CN3CCCC3C(=O)N)OC

DOS

IR

Vibrations