Geometry & MOs

Info

ID:	303080
PubChem CID:	124489185
Reduced:	ClNSO2C6H12 (1)
Stoich.:	ABCD2E6F12 (1)
Weight, g/mol:	297.95602
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	6.69
IP(EA), eV:	-9.4(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(R)-chloro-(4-fluorophenyl)methyl]benzene

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@H](C1)CCl

DOS

IR

Vibrations