Geometry & MOs

Info

ID:	302317
PubChem CID:	124361225
Reduced:	BrClN3O3C23H25 (1)
Stoich.:	ABC3D3E23F25 (1)
Weight, g/mol:	501.127111
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	2.58
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C[C@H]([C@]2(N1)C3=C(C=CC(=C3)Br)NC2=O)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations