Geometry & MOs

Info

ID:	143791
PubChem CID:	53263697
Reduced:	BrOSN3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	5.97
Dipole, Da:	3.65
IP(EA), eV:	-8.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(4-phenylphenoxy)acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCCCC2=NNC(=S)N2C)Br

DOS

IR

Vibrations