Geometry & MOs

Info

ID:

321225

PubChem CID:

126665394

Reduced:

O2F5N7H18C19 (1)

Stoich.:

A2B5C7D18E19 (1)

Weight, g/mol:

472.128229

ΔHf, kcal/mol:

-228.93

Dipole, Da:

4.58

IP(EA), eV:

 -9.45(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-difluorophenyl)-2,2,2-trifluoroethyl]-4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CC(F)(F)F)O)NC2=NC=NC3=NNC(=C32)C(=O)NCC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations