Geometry & MOs

Info

ID:	280517
PubChem CID:	103849699
Reduced:	SO3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	300.103145
ΔH_f, kcal/mol:	-102.74
Dipole, Da:	5.1
IP(EA), eV:	-8.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-tert-butylsulfonylethoxy)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations