Geometry & MOs

Info

ID:	376218
PubChem CID:	134222228
Reduced:	ClN2O2F6H23C24 (1)
Stoich.:	AB2C2D6E23F24 (1)
Weight, g/mol:	408.01294
ΔH_f, kcal/mol:	-385.52
Dipole, Da:	5.86
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl] thiohypofluorite

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(/C=C/C2=CC(=C(C=C2)CNC(=O)C(=O)NCC(F)(F)F)Cl)C(F)(F)F

DOS

IR

Vibrations