Geometry & MOs

Info

ID:

445463

PubChem CID:

135267167

Reduced:

O3N5F9H28C35 (1)

Stoich.:

A3B5C9D28E35 (1)

Weight, g/mol:

749.272643

ΔHf, kcal/mol:

-437.31

Dipole, Da:

3.79

IP(EA), eV:

 -9.81(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(3Z)-3-[amino(cyclopropyl)methylidene]-5-hydroxypentan-2-ylidene]amino]-N-[1-[3-[4-chloro-1-methyl-3-(methylsulfanylamino)indazol-7-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CC2=C(C1(F)F)N(N=C2C(F)(F)F)CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC(=N4)C#CC(C)(C)O)C5=CC(=C(C(=C5)F)F)C(=O)N

DOS

IR

Vibrations