Geometry & MOs

Info

ID:

446470

PubChem CID:

135275236

Reduced:

FO2N7H26C29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

650.166014

ΔHf, kcal/mol:

44.92

Dipole, Da:

4.94

IP(EA), eV:

 -8.67(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-4-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]bicyclo[2.2.0]hexa-1,3-diene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)F)O)O

DOS

IR

Vibrations