Geometry & MOs

Info

ID:	145927
PubChem CID:	53613538
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	5.2
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NC(C)(C)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations