Geometry & MOs

Info

ID:	362968
PubChem CID:	127309986
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	7.33
Dipole, Da:	6.09
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations