Geometry & MOs

Info

ID:	43976
PubChem CID:	10322636
Reduced:	O2S2N5C23H31 (1)
Stoich.:	A2B2C5D23E31 (1)
Weight, g/mol:	473.326694
ΔH_f, kcal/mol:	6.92
Dipole, Da:	4.14
IP(EA), eV:	-8.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-7-amine

Drug info:

PubChemData

Smile

CNC(=S)[C@]1(CCCC[C@@H]1CCNC(=NC)NS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations