Geometry & MOs

Info

ID:	414211
PubChem CID:	135087167
Reduced:	SO3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	250.048607
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	3.5
IP(EA), eV:	-9.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bis(methylsulfanyl)methylidene]-3,4-dihydronaphthalen-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)C(C)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations