Geometry & MOs

Info

ID:	356613
PubChem CID:	127291839
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	5.87
IP(EA), eV:	-8.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)CC(C)(C)O

DOS

IR

Vibrations