Geometry & MOs

Info

ID:

135007

PubChem CID:

51796214

Reduced:

ClN3O6C25H28 (1)

Stoich.:

AB3C6D25E28 (1)

Weight, g/mol:

501.166663

ΔHf, kcal/mol:

-253.18

Dipole, Da:

4.95

IP(EA), eV:

 -9.32(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H](C2=C(C=C(C=C2O)O)O)N(C3=CC(=CC=C3)Cl)C(=O)[C@@H]4CCC(=O)N4

DOS

IR

Vibrations