Geometry & MOs

Info

ID:	309758
PubChem CID:	126557495
Reduced:	SF2N5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	499.212058
ΔH_f, kcal/mol:	85.19
Dipole, Da:	4.03
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C1SC(=NC2C3=C(N=CC(=C3)/C=C(/C4=NC=C(C=C4)C#N)\F)F)N

DOS

IR

Vibrations