Geometry & MOs

Info

ID:	158371
PubChem CID:	56463528
Reduced:	N2S2O7C19H28 (1)
Stoich.:	A2B2C7D19E28 (1)
Weight, g/mol:	430.05619
ΔH_f, kcal/mol:	-277.77
Dipole, Da:	4.12
IP(EA), eV:	-9.31(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromobenzoyl)-N-(2-ethylsulfonylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations