Geometry & MOs

Info

ID:

222846

PubChem CID:

85332716

Reduced:

FN4O4C32H33 (1)

Stoich.:

AB4C4D32E33 (1)

Weight, g/mol:

558.102764

ΔHf, kcal/mol:

-109.66

Dipole, Da:

6.35

IP(EA), eV:

 -8.71(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(nitrooxymethyl)pyridin-2-yl]methyl 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)C=CC(=O)NC(CC(=O)NC2=CC=CC=C2)CN3CCC(CC3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations