Geometry & MOs

Info

ID:	135341
PubChem CID:	51853577
Reduced:	SO2F3N5C14H20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-182.15
Dipole, Da:	11.13
IP(EA), eV:	-9.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)S(=O)(=O)NC[C@@H](C)CN2C=CC(=N2)C(F)(F)F

DOS

IR

Vibrations