Geometry & MOs

Info

ID:	391029
PubChem CID:	135002333
Reduced:	O3C13H14 (2)
Stoich.:	A3B13C14 (2)
Weight, g/mol:	416.202131
ΔH_f, kcal/mol:	-206.0
Dipole, Da:	6.29
IP(EA), eV:	-9.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-hexyl-4-(4-methylphenyl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CCCCCC1=CC(=O)OCC1(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations