Geometry & MOs

Info

ID:	68552
PubChem CID:	46508633
Reduced:	N2S2O3C20H26 (1)
Stoich.:	A2B2C3D20E26 (1)
Weight, g/mol:	337.21139
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	1.68
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations