Geometry & MOs

Info

ID:	60736
PubChem CID:	26697527
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	428.200788
ΔH_f, kcal/mol:	-164.07
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations