Geometry & MOs

Info

ID:

83040

PubChem CID:

49857046

Reduced:

F3N4O4H21C25 (1)

Stoich.:

A3B4C4D21E25 (1)

Weight, g/mol:

528.23727

ΔHf, kcal/mol:

-206.01

Dipole, Da:

6.58

IP(EA), eV:

 -8.72(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(Z)-[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-(4-propan-2-ylphenyl)methyl]amino]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)N(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations