Geometry & MOs

Info

ID:	49882
PubChem CID:	11534103
Reduced:	FNO6C32H40 (1)
Stoich.:	ABC6D32E40 (1)
Weight, g/mol:	553.192294
ΔH_f, kcal/mol:	-313.18
Dipole, Da:	4.4
IP(EA), eV:	-9.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(COCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4)F)C(=O)O

DOS

IR

Vibrations