Geometry & MOs

Info

ID:

443840

PubChem CID:

135260145

Reduced:

O3N5F8H27C35 (1)

Stoich.:

A3B5C8D27E35 (1)

Weight, g/mol:

786.217142

ΔHf, kcal/mol:

-348.37

Dipole, Da:

7.1

IP(EA), eV:

 -9.74(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-[1-methyl-3-(sulfamoylamino)indazol-7-yl]pyridin-2-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC(=C(C=C2)F)C(=O)N)C(CC3=CC(=CC(=C3)F)F)NC(=O)CN4C5=C([C@H]6C[C@H]6C5(F)F)C(=N4)C(F)(F)F)O

DOS

IR

Vibrations