Geometry & MOs

Info

ID:	245034
PubChem CID:	99432193
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	3.21
IP(EA), eV:	-9.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCC3=C(OC4=CC=CC=C43)C(=O)OCC

DOS

IR

Vibrations