Geometry & MOs

Info

ID:	45039
PubChem CID:	10507439
Reduced:	SN2O4C34H46 (1)
Stoich.:	AB2C4D34E46 (1)
Weight, g/mol:	578.375995
ΔH_f, kcal/mol:	-121.37
Dipole, Da:	2.48
IP(EA), eV:	-8.37(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)-phenylmethyl]-6-tert-butyl-4-methylphenol

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(S1)CCCC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations