Geometry & MOs

Info

ID:	449292
PubChem CID:	135297445
Reduced:	SF2O3N4C25H30 (1)
Stoich.:	AB2C3D4E25F30 (1)
Weight, g/mol:	421.145122
ΔH_f, kcal/mol:	-140.21
Dipole, Da:	7.1
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(3-fluoro-5-methylphenyl)-2-(5-pyridin-3-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=NN=C1[C@@](C)(CC)C2=NC(=CC=C2)S(=O)(=O)NCCO)C3=C(C=CC=C3F)F

DOS

IR

Vibrations