Geometry & MOs

Info

ID:

312707

PubChem CID:

126607533

Reduced:

N5O7C26H35 (1)

Stoich.:

A5B7C26D35 (1)

Weight, g/mol:

554.237642

ΔHf, kcal/mol:

-173.81

Dipole, Da:

2.84

IP(EA), eV:

 -9.39(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-1-[6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]prop-1-en-2-yl]-2,3-dihydropyridine-4-carbothioamide

Drug info:

PubChemData

Smile

CCOC(N(CC1=CC(=CC=C1)N(CC=C)C(=O)OC(C)(C)C)C2=CC(=NC(=C2[N+](=O)[O-])N)OCC=C)O

DOS

IR

Vibrations