Geometry & MOs

Info

ID:	226203
PubChem CID:	87350025
Reduced:	FSO3N4C23H31 (1)
Stoich.:	ABC3D4E23F31 (1)
Weight, g/mol:	241.903761
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	6.28
IP(EA), eV:	-8.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4-trichloro-5-[(Z)-2-chloroethenyl]benzene

Drug info:

PubChemData

Smile

CC(C1=CC=CN1)N2CCC(CC2)ON=C3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations