Geometry & MOs

Info

ID:	262354
PubChem CID:	103287849
Reduced:	BrFSN2O3H12C13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	286.079429
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	6.59
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chlorophenyl)methylsulfanyl]hexanoate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=C(C=CC(=C1)N)OC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations