Geometry & MOs

Info

ID:	449174
PubChem CID:	135296578
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	312.077342
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	1.63
IP(EA), eV:	-8.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations