Geometry & MOs

Info

ID:	189424
PubChem CID:	77853937
Reduced:	ON2C24H38 (1)
Stoich.:	AB2C24D38 (1)
Weight, g/mol:	433.151886
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	2.42
IP(EA), eV:	-8.47(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-carboxy-2-(ethylsulfonylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(N)NC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C

DOS

IR

Vibrations