Geometry & MOs

Info

ID:

429927

PubChem CID:

135169982

Reduced:

ClF3N8H18C23 (1)

Stoich.:

AB3C8D18E23 (1)

Weight, g/mol:

495.235828

ΔHf, kcal/mol:

35.49

Dipole, Da:

5.75

IP(EA), eV:

 -8.92(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-2-[C-(1,1-difluoroethyl)-N-(1-ethylisoquinolin-4-yl)carbonimidoyl]-3-N-[(2E,4E)-5-fluoro-6-(triazol-2-yl)hexa-2,4-dien-3-yl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NC=C(C2=CC=CC=C12)N=C(/C(=C\N)/C(=C)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations