Geometry & MOs

Info

ID:	16801
PubChem CID:	477063
Reduced:	SO3C27H34 (1)
Stoich.:	AB3C27D34 (1)
Weight, g/mol:	438.222866
ΔH_f, kcal/mol:	-121.7
Dipole, Da:	6.91
IP(EA), eV:	-8.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O

DOS

IR

Vibrations