Geometry & MOs

Info

ID:	16802
PubChem CID:	477064
Reduced:	SO4C28H36 (1)
Stoich.:	AB4C28D36 (1)
Weight, g/mol:	468.233431
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	6.48
IP(EA), eV:	-8.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O

DOS

IR

Vibrations