Geometry & MOs

Info

ID:	9851
PubChem CID:	93903
Reduced:	SO2C40H50 (1)
Stoich.:	AB2C40D50 (1)
Weight, g/mol:	594.353152
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	2.06
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-[3-tert-butyl-5-(4-tert-butylphenyl)-2-hydroxyphenyl]sulfanyl-4-(4-tert-butylphenyl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2)SC3=CC(=CC(=C3O)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations