Geometry & MOs

Info

ID:	447997
PubChem CID:	135287443
Reduced:	NSO3C23H31 (1)
Stoich.:	ABC3D23E31 (1)
Weight, g/mol:	534.217952
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	3.86
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(5-cyclohexyloxypyridin-3-yl)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC1=C(N(C(=C1CC)C(=O)C)C)C2=CC=C(C=C2)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations