Geometry & MOs

Info

ID:

321579

PubChem CID:

126666638

Reduced:

SF4O5N7C26H27 (1)

Stoich.:

AB4C5D7E26F27 (1)

Weight, g/mol:

580.151587

ΔHf, kcal/mol:

-251.86

Dipole, Da:

12.73

IP(EA), eV:

 -8.58(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[ethylsulfonyl(methyl)amino]phenyl]methylamino]-6-[5-fluoro-3-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C2C(=C/C(=C/3\C=C(C(=O)C=C3CC(F)(F)F)F)/N=C2NC(C4=CC=CC=C4)(N(C)CCO)S(=O)(=O)N)NN1

DOS

IR

Vibrations