Geometry & MOs

Info

ID:	359511
PubChem CID:	127298785
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	9.7
Dipole, Da:	3.34
IP(EA), eV:	-8.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=N2)CN3CCCC3C(=O)N4CCSCC4)C=N1

DOS

IR

Vibrations