Geometry & MOs

Info

ID:

321523

PubChem CID:

126666516

Reduced:

SF4O4N7H23C24 (1)

Stoich.:

AB4C4D7E23F24 (1)

Weight, g/mol:

400.14593

ΔHf, kcal/mol:

-241.77

Dipole, Da:

13.56

IP(EA), eV:

 -8.1(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-4-[[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=C(C=C(C=N1)C)CNC2=N/C(=C/3\C=C(C(=O)C=C3CC(F)(F)F)F)/C=C4C2=C(NN4)C(=O)N

DOS

IR

Vibrations