Geometry & MOs

Info

ID:	348992
PubChem CID:	127274718
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	4.54
IP(EA), eV:	-8.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpiperidin-1-yl)-2-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)NC2=NC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations