Geometry & MOs

Info

ID:

429931

PubChem CID:

135169986

Reduced:

PF2N8H23C25 (1)

Stoich.:

AB2C8D23E25 (1)

Weight, g/mol:

491.119668

ΔHf, kcal/mol:

125.31

Dipole, Da:

5.78

IP(EA), eV:

 -8.58(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,3Z)-2-(aminomethylidene)-N-[6-chloro-1-[(Z)-2-iminoethylideneamino]diazepin-4-yl]-4,4,4-trifluoro-3-(2-methylimidazo[1,2-a]pyridin-5-yl)iminobutanamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(/CN1N=CC=N1)\P)/NC(=C)C2=C(N(N=C2)C3=CN=C(C4=CC=CC=C43)C#N)C(C)(F)F

DOS

IR

Vibrations