Geometry & MOs

Info

ID:	244856
PubChem CID:	99431494
Reduced:	SO2F3N3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	434.192961
ΔH_f, kcal/mol:	-203.3
Dipole, Da:	2.05
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-propan-2-yl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)NC

DOS

IR

Vibrations