Geometry & MOs

Info

ID:	287924
PubChem CID:	104299340
Reduced:	BrSCl3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	389.92533
ΔH_f, kcal/mol:	28.73
Dipole, Da:	0.54
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(4-bromo-3-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations