Geometry & MOs

Info

ID:

222732

PubChem CID:

85332184

Reduced:

SF2N4O6H20C21 (1)

Stoich.:

AB2C4D6E20F21 (1)

Weight, g/mol:

503.175594

ΔHf, kcal/mol:

-238.29

Dipole, Da:

10.33

IP(EA), eV:

 -9.77(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-ylamino)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2)F)C3=CCS(=NC(=O)C4=CC=NO4)(=O)CC3)F

DOS

IR

Vibrations