Geometry & MOs

Info

ID:	16260
PubChem CID:	462886
Reduced:	NS2O4C29H35 (1)
Stoich.:	AB2C4D29E35 (1)
Weight, g/mol:	525.200751
ΔH_f, kcal/mol:	-143.59
Dipole, Da:	5.3
IP(EA), eV:	-8.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-(5-oxo-5-thiomorpholin-4-ylpentyl)-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)(CCCCC(=O)N3CCSCC3)C4=CC=CC=C4)O

DOS

IR

Vibrations