Geometry & MOs

Info

ID:	355680
PubChem CID:	127289661
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	4.01
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)CN3CSCC3=O

DOS

IR

Vibrations