Geometry & MOs

Info

ID:	52365
PubChem CID:	12015207
Reduced:	SO3C24H34 (1)
Stoich.:	AB3C24D34 (1)
Weight, g/mol:	416.238516
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	5.06
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-propan-2-ylphenyl) 2,4,6-tri(propan-2-yl)benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C

DOS

IR

Vibrations