Geometry & MOs

Info

ID:	332840
PubChem CID:	127251264
Reduced:	OSN6C24H26 (1)
Stoich.:	ABC6D24E26 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	63.62
Dipole, Da:	2.71
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCCC5=CC=CC=C5

DOS

IR

Vibrations