Geometry & MOs

Info

ID:

447772

PubChem CID:

135285535

Reduced:

FSO3N6H27C32 (1)

Stoich.:

ABC3D6E27F32 (1)

Weight, g/mol:

539.193295

ΔHf, kcal/mol:

25.55

Dipole, Da:

9.5

IP(EA), eV:

 -8.07(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]indol-4-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CC7)NN4)/C=C32)F)N

DOS

IR

Vibrations