Geometry & MOs

Info

ID:

326609

PubChem CID:

126687876

Reduced:

SF4O5N7C27H27 (1)

Stoich.:

AB4C5D7E27F27 (1)

Weight, g/mol:

639.188701

ΔHf, kcal/mol:

-248.24

Dipole, Da:

18.32

IP(EA), eV:

 -8.08(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[5-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)cyclohexa-2,5-dien-1-ylidene]-4-[[2-[2-methoxyethylsulfamoyl(methyl)amino]phenyl]methylamino]-N-methyl-1,2-dihydropyrazolo[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=C2NCC4=CC=CC=C4N(C)S(=O)(=O)N5CCOC5)NN1

DOS

IR

Vibrations