Geometry & MOs

Info

ID:	444786
PubChem CID:	135263542
Reduced:	NSF3O6H10C11 (1)
Stoich.:	ABC3D6E10F11 (1)
Weight, g/mol:	486.215472
ΔH_f, kcal/mol:	-374.95
Dipole, Da:	3.63
IP(EA), eV:	-9.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]amino]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCC(=O)O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations