Geometry & MOs

Info

ID:	245016
PubChem CID:	99432142
Reduced:	FSN2O6C23H23 (1)
Stoich.:	ABC2D6E23F23 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-230.38
Dipole, Da:	5.7
IP(EA), eV:	-9.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-[(2-phenylacetyl)amino]propanoylamino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations