Geometry & MOs

Info

ID:	16803
PubChem CID:	477066
Reduced:	SO5C29H38 (1)
Stoich.:	AB5C29D38 (1)
Weight, g/mol:	498.243995
ΔH_f, kcal/mol:	-206.83
Dipole, Da:	6.15
IP(EA), eV:	-7.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl-6-hydroxy-2-(2-phenylethyl)-2-propan-2-yl-3H-pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OCCO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O

DOS

IR

Vibrations