Geometry & MOs

Info

ID:	158605
PubChem CID:	56464298
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	466.02318
ΔH_f, kcal/mol:	-155.34
Dipole, Da:	6.25
IP(EA), eV:	-10.04(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfonyl-N-(2-ethylsulfonylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations