Geometry & MOs

Info

ID:	43405
PubChem CID:	10321245
Reduced:	SiF2O2H22C27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	444.150764
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	3.61
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C(F)F)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations