Geometry & MOs

Info

ID:

432974

PubChem CID:

135173111

Reduced:

SN4O8H26C34 (1)

Stoich.:

AB4C8D26E34 (1)

Weight, g/mol:

549.150698

ΔHf, kcal/mol:

-141.85

Dipole, Da:

6.57

IP(EA), eV:

 -9.36(-2.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[2-[4-[(E)-1-fluoro-2-(methylamino)-2-pyrimidin-5-ylethenyl]-5-methylidenepyrazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC(=O)C2=C(C=C(C=C2)CC(=O)C3=C/C(=N/NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=N5)/C=CC3=O)O

DOS

IR

Vibrations