Geometry & MOs

Info

ID:	348980
PubChem CID:	127274706
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	2.72
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

DOS

IR

Vibrations