Geometry & MOs

Info

ID:

185315

PubChem CID:

77285086

Reduced:

ClFN3O4H23C25 (1)

Stoich.:

ABC3D4E23F25 (1)

Weight, g/mol:

557.22051

ΔHf, kcal/mol:

-110.99

Dipole, Da:

3.66

IP(EA), eV:

 -8.52(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[6-amino-7-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-ethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1Cl)F)OC)OC2=C3C(=CN=C2N)C(=CO3)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations