Geometry & MOs

Info

ID:	413120
PubChem CID:	135086064
Reduced:	O4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	360.079571
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	6.81
IP(EA), eV:	-8.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CC(=O)CC(C2)C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations