Geometry & MOs

Info

ID:

376483

PubChem CID:

134222498

Reduced:

F2O4N6H28C31 (1)

Stoich.:

A2B4C6D28E31 (1)

Weight, g/mol:

521.193528

ΔHf, kcal/mol:

-135.92

Dipole, Da:

7.33

IP(EA), eV:

 -9.01(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[(E)-3-(methylamino)-1-(methylideneamino)-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(C)NC(=O)C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=CC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations