Geometry & MOs

Info

ID:	400130
PubChem CID:	135045826
Reduced:	O3C15H17 (2)
Stoich.:	A3B15C17 (2)
Weight, g/mol:	198.071451
ΔH_f, kcal/mol:	-189.07
Dipole, Da:	5.07
IP(EA), eV:	-9.19(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfinyl-2-(methoxymethyl)benzene

Drug info:

PubChemData

Smile

C[C@H]1C([C@H]([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations