Geometry & MOs

Info

ID:	446193
PubChem CID:	135273044
Reduced:	SF2O2N4H26C29 (1)
Stoich.:	AB2C2D4E26F29 (1)
Weight, g/mol:	274.102751
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	5.54
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-(4-methylphenyl)ethylsulfonyl]benzene

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2OC1(CF)CF)NC(=O)NC3=CC=CC4=C3C=CC(=C4)NC(=S)NC5=CC=CC=C5

DOS

IR

Vibrations