Geometry & MOs

Info

ID:	37342
PubChem CID:	8019917
Reduced:	BrN2O5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	408.171893
ΔH_f, kcal/mol:	-149.6
Dipole, Da:	2.87
IP(EA), eV:	-9.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations