Geometry & MOs

Info

ID:	245035
PubChem CID:	99432200
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-145.28
Dipole, Da:	7.18
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)[C@@H]3CC(=O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations