Geometry & MOs

Info

ID:	449731
PubChem CID:	135301009
Reduced:	SF3O3C9H17 (1)
Stoich.:	AB3C3D9E17 (1)
Weight, g/mol:	579.196794
ΔH_f, kcal/mol:	-323.76
Dipole, Da:	3.73
IP(EA), eV:	-10.59(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(Z)-2-[5-[1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridin-2-yl]methyl]bicyclo[6.1.0]nonan-3-amine

Drug info:

PubChemData

Smile

CCC(CS(=O)(=O)C)OC[C@H](C)C(F)(F)F

DOS

IR

Vibrations