Geometry & MOs

Info

ID:	60649
PubChem CID:	26697339
Reduced:	S2N3O5C21H31 (1)
Stoich.:	A2B3C5D21E31 (1)
Weight, g/mol:	493.96974
ΔH_f, kcal/mol:	-200.79
Dipole, Da:	4.97
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-(2,5-dibromophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1CCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations