Geometry & MOs

Info

ID:

448686

PubChem CID:

135292803

Reduced:

O2F3N7C25H34 (1)

Stoich.:

A2B3C7D25E34 (1)

Weight, g/mol:

530.237664

ΔHf, kcal/mol:

-155.99

Dipole, Da:

6.42

IP(EA), eV:

 -8.88(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3Z,4E)-3-(1,2-dihydroxyprop-2-enylidene)-4-[hydroxy-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]methylidene]-2-oxopyrrolidin-1-yl]-2-hydroxy-N-methyl-5-oxopentanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN(C(=N)CC4)C(=N)C(F)(F)F

DOS

IR

Vibrations