Geometry & MOs

Info

ID:	302298
PubChem CID:	124361140
Reduced:	N5O6C18H23 (1)
Stoich.:	A5B6C18D23 (1)
Weight, g/mol:	487.147846
ΔH_f, kcal/mol:	-249.06
Dipole, Da:	7.62
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-hydroxy-2-[[2-[[(2E)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@H](CC(=O)N)C(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations