Geometry & MOs

Info

ID:	288961
PubChem CID:	104329064
Reduced:	FSCl3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	276.108106
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	1.93
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[chloro-(4-propan-2-ylphenyl)methyl]-4-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=C(SC(=C2)Cl)Cl)Cl

DOS

IR

Vibrations