Geometry & MOs

Info

ID:	430009
PubChem CID:	135170066
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	350.134051
ΔH_f, kcal/mol:	26.48
Dipole, Da:	8.52
IP(EA), eV:	-7.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfinyl)-3-(2-methyl-2-phenoxypropyl)benzene

Drug info:

PubChemData

Smile

C1C2CC\3CC1CC(C2)N/C3=C/N=C4C5=C(C=CC4=O)N=CC=C5

DOS

IR

Vibrations