Geometry & MOs

Info

ID:	245495
PubChem CID:	99445268
Reduced:	ClSN2O3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-92.71
Dipole, Da:	4.55
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H](C)COC)C(=O)CC1=CSC(=N1)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations