Geometry & MOs

Info

ID:

429820

PubChem CID:

135169873

Reduced:

F3N8H17C24 (1)

Stoich.:

A3B8C17D24 (1)

Weight, g/mol:

540.142122

ΔHf, kcal/mol:

68.41

Dipole, Da:

5.59

IP(EA), eV:

 -8.86(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-3-[(1E)-1-[(2Z)-2-(1-cyanoethylidene)thiophen-3-ylidene]prop-2-enyl]imino-4,4-difluoro-N-[2-methyl-5-phosphanyl-6-(triazol-2-yl)pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=NC1=CN=CC2=CC=CC=C21)C(F)(F)F)NC3=CC(=C(C=C3)N4N=CC=N4)C#N

DOS

IR

Vibrations