Geometry & MOs

Info

ID:	17573
PubChem CID:	505396
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-138.54
Dipole, Da:	6.5
IP(EA), eV:	-7.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-5-(N-propylanilino)-3H-pyran-4-one

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC=C1)C2=C(O[C@](CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O

DOS

IR

Vibrations