Geometry & MOs

Info

ID:	16259
PubChem CID:	462884
Reduced:	SN2O4C28H34 (1)
Stoich.:	AB2C4D28E34 (1)
Weight, g/mol:	494.223929
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	6.93
IP(EA), eV:	-8.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-(4-oxo-4-piperazin-1-ylbutyl)-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCC(=O)N3CCNCC3)C4=CC=CC=C4)O

DOS

IR

Vibrations