Geometry & MOs

Info

ID:	415053
PubChem CID:	135088039
Reduced:	OF3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	395.162725
ΔH_f, kcal/mol:	-151.07
Dipole, Da:	3.49
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(F)(F)F)CC(C)CNC2=C(C=CC=N2)C(=O)NC

DOS

IR

Vibrations