Geometry & MOs

Info

ID:

448176

PubChem CID:

135289024

Reduced:

SCl2O2N8H20C25 (1)

Stoich.:

AB2C2D8E20F25 (1)

Weight, g/mol:

516.207388

ΔHf, kcal/mol:

103.47

Dipole, Da:

11.36

IP(EA), eV:

 -9.57(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(SC1)NC(=O)C(CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations