Geometry & MOs

Info

ID:	437727
PubChem CID:	135226956
Reduced:	NF2C19H37 (1)
Stoich.:	AB2C19D37 (1)
Weight, g/mol:	297.923
ΔH_f, kcal/mol:	-173.79
Dipole, Da:	5.23
IP(EA), eV:	-8.82(2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(2-chloropropan-2-ylsulfinyl)-1-fluorobenzene

Drug info:

PubChemData

Smile

CCCCC(C(C)C)C(C(C)C1CCC(CC1F)F)NCC

DOS

IR

Vibrations