Geometry & MOs

Info

ID:	294781
PubChem CID:	117490786
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	305.00628
ΔH_f, kcal/mol:	-15.52
Dipole, Da:	2.78
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(6-bromo-2-fluoro-3-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC=C2)OC3CCSC3)OC)N

DOS

IR

Vibrations