Geometry & MOs

Info

ID:

436583

PubChem CID:

135205640

Reduced:

ClF3O4N6H26C29 (1)

Stoich.:

AB3C4D6E26F29 (1)

Weight, g/mol:

544.082887

ΔHf, kcal/mol:

-185.14

Dipole, Da:

5.74

IP(EA), eV:

 -8.43(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]propanoyl]amino]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CN1C=C2C=C(C=CC2=N1)NC(=O)C(CCOC)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=C5)C(F)(F)F)OC

DOS

IR

Vibrations