Geometry & MOs

Info

ID:	162990
PubChem CID:	57581245
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	520.199822
ΔH_f, kcal/mol:	-175.06
Dipole, Da:	9.92
IP(EA), eV:	-9.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanoyl]amino]-6-phenylpyridin-4-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C=C2C1)C(=O)CCC(=O)O)O

DOS

IR

Vibrations