Geometry & MOs

Info

ID:	159818
PubChem CID:	57288783
Reduced:	PN2O3C29H33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	547.23185
ΔH_f, kcal/mol:	-93.09
Dipole, Da:	5.27
IP(EA), eV:	-8.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4S)-2-carbamoyl-4-[4-[3-(5-cyano-1-benzofuran-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CP(=O)(CCCCCCCOC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations