Geometry & MOs

Info

ID:	279019
PubChem CID:	103840555
Reduced:	NO5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	427.141973
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	3.21
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-benzofuran-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=COC5=CC=CC=C54

DOS

IR

Vibrations