Geometry & MOs

Info

ID:

376474

PubChem CID:

134222489

Reduced:

FCl2O3N10H21C27 (1)

Stoich.:

AB2C3D10E21F27 (1)

Weight, g/mol:

626.267777

ΔHf, kcal/mol:

22.7

Dipole, Da:

10.03

IP(EA), eV:

 -9.36(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NN2C3=C(C=C(C=C3)C4=CN=NC=C4)C(=N2)C(=O)N)C(=O)NC5=C(NN=C5)C6=C(C=C(C=C6)Cl)Cl)F

DOS

IR

Vibrations