Geometry & MOs

Info

ID:	396034
PubChem CID:	135027234
Reduced:	FSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	306.107836
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	6.1
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC(=C2C3=C(C=CC=C3F)OC(=O)C)OC

DOS

IR

Vibrations