Geometry & MOs

Info

ID:

429815

PubChem CID:

135169868

Reduced:

ClOF3N9H19C24 (1)

Stoich.:

ABC3D9E19F24 (1)

Weight, g/mol:

511.124754

ΔHf, kcal/mol:

0.22

Dipole, Da:

6.38

IP(EA), eV:

 -9.41(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[4-[[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-quinolin-5-yliminopent-1-en-2-yl]amino]-6-chlorodiazepin-1-yl]iminoethanimidoyl cyanide

Drug info:

PubChemData

Smile

C1CNC1C2=NC3=C(C=C2)C(=CC=C3)N=C(/C(=C\N)/C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F

DOS

IR

Vibrations