Geometry & MOs

Info

ID:	279018
PubChem CID:	103840554
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	427.141973
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	1.89
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC=C1)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations