Geometry & MOs

Info

ID:	155606
PubChem CID:	56366242
Reduced:	N2S2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	420.14124
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	2.02
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)/C=C/C3=CSC=C3

DOS

IR

Vibrations