Geometry & MOs

Info

ID:	245015
PubChem CID:	99432140
Reduced:	ClN2O5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	474.126086
ΔH_f, kcal/mol:	-152.16
Dipole, Da:	4.2
IP(EA), eV:	-9.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=C(C=C(C=C3)Cl)N4CCCC4=O

DOS

IR

Vibrations