Geometry & MOs

Info

ID:

429762

PubChem CID:

135169814

Reduced:

OF3N10H15C19 (1)

Stoich.:

AB3C10D15E19 (1)

Weight, g/mol:

499.151447

ΔHf, kcal/mol:

25.85

Dipole, Da:

13.21

IP(EA), eV:

 -9.57(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4E)-4-[[(3Z)-3-(aminomethylidene)-4-(1,3-benzothiazol-7-ylimino)-5,5,5-trifluoropent-1-en-2-yl]amino]-2-[[(Z)-2-iminoethylideneamino]-methylamino]-5-(methylideneamino)penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC1=C(N(N=C1N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)C#N)C(F)(F)F)C)C

DOS

IR

Vibrations