Geometry & MOs

Info

ID:	269225
PubChem CID:	103616446
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	312.13953
ΔH_f, kcal/mol:	-131.43
Dipole, Da:	5.88
IP(EA), eV:	-8.96(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-3-(3-methylbutylsulfonylmethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCOC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations