Geometry & MOs

Info

ID:

14163

PubChem CID:

405458

Reduced:

N4O8C31H36 (1)

Stoich.:

A4B8C31D36 (1)

Weight, g/mol:

592.253314

ΔHf, kcal/mol:

-312.86

Dipole, Da:

1.21

IP(EA), eV:

 -8.96(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[(5-ethoxycarbonyl-2-hydroxy-4-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-phenylmethyl]-6-hydroxy-4-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1=O)C(C2=CC=CC=C2)C3=C(NC(=C(C3=O)C(=O)OCC)N4CCCC4)O)O)N5CCCC5

DOS

IR

Vibrations