Geometry & MOs

Info

ID:	293959
PubChem CID:	117420249
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	6.47
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclobutylsulfonylphenyl)butanal

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SC)C2(CC2)CC(=O)O)OC

DOS

IR

Vibrations