Geometry & MOs

Info

ID:	363702
PubChem CID:	127313320
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	338.177647
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	4.27
IP(EA), eV:	-9.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(4-methylpiperazin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC=CS1)C(=O)C2CCCN(C2)C(=O)C3CC3

DOS

IR

Vibrations