Geometry & MOs

Info

ID:

443836

PubChem CID:

135260140

Reduced:

O3N6F8H24C33 (1)

Stoich.:

A3B6C8D24E33 (1)

Weight, g/mol:

723.301445

ΔHf, kcal/mol:

-405.94

Dipole, Da:

8.15

IP(EA), eV:

 -9.46(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-[1-methyl-3-[(4-methylpiperazin-1-yl)sulfonylamino]indazol-7-yl]pyridin-2-yl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

C1CC(C2=C(C1(F)F)C(=NN2CC(=O)NC(CC3=CC(=CC(=C3)F)F)C4=C(C=CC(=N4)C5=CC(=O)NC=C5)C6=CC(=O)NC=C6)C(F)F)(F)F

DOS

IR

Vibrations