Geometry & MOs

Info

ID:	158669
PubChem CID:	56464553
Reduced:	N3S3O4C15H19 (1)
Stoich.:	A3B3C4D15E19 (1)
Weight, g/mol:	471.9796
ΔH_f, kcal/mol:	-129.21
Dipole, Da:	5.51
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethylsulfonylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=CS2

DOS

IR

Vibrations