Geometry & MOs

Info

ID:	351508
PubChem CID:	127280396
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(pyridin-4-ylmethylsulfanyl)acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CSCC3=CC=CC=N3

DOS

IR

Vibrations