Geometry & MOs

Info

ID:

135006

PubChem CID:

51796161

Reduced:

ClN3O5C28H30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

501.166663

ΔHf, kcal/mol:

-163.17

Dipole, Da:

5.63

IP(EA), eV:

 -8.57(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC(=C(C=C1)O)OC)N(C2=CC(=CC=C2)Cl)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations