Geometry & MOs

Info

ID:	158886
PubChem CID:	57244140
Reduced:	OPC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	590.306596
ΔH_f, kcal/mol:	-8.04
Dipole, Da:	5.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.936677
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-bis(4-methoxyphenyl)thian-4-yl]oxy-1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2

DOS

IR

Vibrations