Geometry & MOs

Info

ID:

376548

PubChem CID:

134222566

Reduced:

FSO5N6H29C30 (1)

Stoich.:

ABC5D6E29F30 (1)

Weight, g/mol:

521.193528

ΔHf, kcal/mol:

-152.24

Dipole, Da:

3.85

IP(EA), eV:

 -9.17(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[(E)-N-[(E)-1-hydroxy-2-(methylideneamino)ethenyl]-C-methylcarbonimidoyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1NC(=O)C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CC=CC=C6)C(=N4)C(=O)N)F)C=CC(=C2)S(=O)(=O)N

DOS

IR

Vibrations