Geometry & MOs

Info

ID:	406270
PubChem CID:	135077108
Reduced:	BrOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	258.107836
ΔH_f, kcal/mol:	15.09
Dipole, Da:	4.13
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(3-methylphenyl)methylsulfinyl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations