Geometry & MOs

Info

ID:	424650
PubChem CID:	135123481
Reduced:	SF3N4O4C32H37 (1)
Stoich.:	AB3C4D4E32F37 (1)
Weight, g/mol:	255.081933
ΔH_f, kcal/mol:	-242.77
Dipole, Da:	11.99
IP(EA), eV:	-8.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,2-difluoropropyl)pyrazolo[4,3-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)CN4C[C@H](CC5=C(S4(O)O)C=CC(=C5)C(F)(F)F)C)[C@@H](C)C(=O)O)C)N=N1

DOS

IR

Vibrations