Geometry & MOs

Info

ID:	28282
PubChem CID:	826775
Reduced:	NSF4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	313.92647
ΔH_f, kcal/mol:	-159.72
Dipole, Da:	1.51
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(2-chlorophenyl)methyl]-2-chlorobenzene

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations