Geometry & MOs

Info

ID:

449375

PubChem CID:

135298103

Reduced:

ClFO3N4H26C27 (1)

Stoich.:

ABC3D4E26F27 (1)

Weight, g/mol:

549.230681

ΔHf, kcal/mol:

-60.14

Dipole, Da:

4.7

IP(EA), eV:

 -8.31(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methylpyridin-4-yl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]pyridin-2-yl]methyl]-N-ethyloxan-4-amine

Drug info:

PubChemData

Smile

CC1=CN=CC(=C1[C@@H](C)OC2=CC3=C(NN=C3C=C2)/C=C(/C4=CN=C(C=C4)OC5CCOCC5)\F)Cl

DOS

IR

Vibrations