Geometry & MOs

Info

ID:	448080
PubChem CID:	135288265
Reduced:	SN8H12C20 (1)
Stoich.:	AB8C12D20 (1)
Weight, g/mol:	500.093456
ΔH_f, kcal/mol:	252.7
Dipole, Da:	8.1
IP(EA), eV:	-8.62(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(5-chlorothiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=NC\2=C1NN/C2=C\3/N=C4C=CN=C(C4=N3)C5=CSC=C5)C6=CN=CN=C6

DOS

IR

Vibrations