Geometry & MOs

Info

ID:	289498
PubChem CID:	104358377
Reduced:	BrClOSH10C15 (1)
Stoich.:	ABCDE10F15 (1)
Weight, g/mol:	341.95777
ΔH_f, kcal/mol:	17.46
Dipole, Da:	2.77
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-chloro-3-[chloro-(3,4-dimethylphenyl)methyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)C(C3=C(C(=CC=C3)Br)Cl)O

DOS

IR

Vibrations