Geometry & MOs

Info

ID:

427225

PubChem CID:

135156247

Reduced:

ClF3O3N5H13C21 (1)

Stoich.:

AB3C3D5E13F21 (1)

Weight, g/mol:

445.147156

ΔHf, kcal/mol:

-157.05

Dipole, Da:

11.97

IP(EA), eV:

 -9.78(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(Z)-3-cyano-4-ethoxy-2-[5-fluoro-6-(1-methylcyclopropyl)pyridin-3-yl]-4-oxobut-2-enylidene]-5-methyl-1,3-thiazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1NC(=O)C2=C(N(N=C2)C3=CN=CC4=CC=CC=C43)C(F)(F)F)C(=O)O)Cl

DOS

IR

Vibrations