Geometry & MOs

Info

ID:	324377
PubChem CID:	126677542
Reduced:	SF3O3C8H11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	447.172498
ΔH_f, kcal/mol:	-286.68
Dipole, Da:	2.75
IP(EA), eV:	-9.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-6-fluoropyrazolo[3,4-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C(CO)COC(=O)/C=C/SCC(F)(F)F

DOS

IR

Vibrations