Geometry & MOs

Info

ID:	157259
PubChem CID:	56422464
Reduced:	ClSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	448.204531
ΔH_f, kcal/mol:	-47.8
Dipole, Da:	5.94
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-methyl-6-propan-2-yl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)OCC

DOS

IR

Vibrations