Geometry & MOs

Info

ID:	155020
PubChem CID:	56314589
Reduced:	FSN3O5C22H34 (1)
Stoich.:	ABC3D5E22F34 (1)
Weight, g/mol:	471.08274
ΔH_f, kcal/mol:	-282.73
Dipole, Da:	9.72
IP(EA), eV:	-9.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCCCC2CNC(=O)OC(C)(C)C

DOS

IR

Vibrations