Geometry & MOs

Info

ID:

82339

PubChem CID:

49855909

Reduced:

F2N3O4H25C27 (1)

Stoich.:

A2B3C4D25E27 (1)

Weight, g/mol:

612.251645

ΔHf, kcal/mol:

-179.64

Dipole, Da:

5.95

IP(EA), eV:

 -9.21(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-[[1-(trimethylsilylmethoxymethyl)-1,2,4-triazol-3-yl]oxy]phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations