Geometry & MOs

Info

ID:	381596
PubChem CID:	134972379
Reduced:	O2C18H19 (2)
Stoich.:	A2B18C19 (2)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	2.53
IP(EA), eV:	-9.21(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-1-[1-(4-methylphenyl)sulfonylindol-2-yl]ethanone

Drug info:

PubChemData

Smile

C1C=C[C@@H]([C@H]([C@@H]([C@@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations