Geometry & MOs

Info

ID:	362972
PubChem CID:	127309990
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	5.27
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2CCC3=CC=CC=C3C2)C(=O)NC4=NC=CS4

DOS

IR

Vibrations