Geometry & MOs

Info

ID:	352914
PubChem CID:	127284004
Reduced:	S2N4O4C15H22 (1)
Stoich.:	A2B4C4D15E22 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	8.41
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC1C(=O)NC2=NC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations