Geometry & MOs

Info

ID:

448257

PubChem CID:

135289650

Reduced:

FSO3N9H28C30 (1)

Stoich.:

ABC3D9E28F30 (1)

Weight, g/mol:

532.238688

ΔHf, kcal/mol:

33.3

Dipole, Da:

9.05

IP(EA), eV:

 -8.87(-2.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-2-[5-[5-[(cyclopentylmethylamino)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)C(N)S(=O)(=O)C

DOS

IR

Vibrations