Geometry & MOs

Info

ID:	305548
PubChem CID:	124959367
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	461.200237
ΔH_f, kcal/mol:	25.76
Dipole, Da:	6.7
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-[(4-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-(3-phenylpropyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=CC(=C2)C(=O)N3CCC[C@H](C3)C4=NC=CN=C4

DOS

IR

Vibrations