Geometry & MOs

Info

ID:

427773

PubChem CID:

135162441

Reduced:

SF3N6O6C28H31 (1)

Stoich.:

AB3C6D6E28F31 (1)

Weight, g/mol:

468.228517

ΔHf, kcal/mol:

-302.82

Dipole, Da:

11.13

IP(EA), eV:

 -9.22(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[(3Z)-3-[amino-(4-fluoroanilino)methylidene]-2-oxopyridin-4-yl]amino]-4-(cyanomethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](CO1)C(CN2C3=CC=NC(=O)C3=C(N2)NC4=CC5=C(C=C4)S(=O)(=O)N(C5)CC(F)(F)F)C#N

DOS

IR

Vibrations