Geometry & MOs

Info

ID:	179229
PubChem CID:	76453513
Reduced:	OCl2N7C19H21 (1)
Stoich.:	AB2C7D19E21 (1)
Weight, g/mol:	436.063986
ΔH_f, kcal/mol:	29.9
Dipole, Da:	5.3
IP(EA), eV:	-9.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichloroanilino)-1-[3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C(=O)CNC2=CC(=CC(=C2)Cl)Cl)C3=NC=NC(=C3C#N)N

DOS

IR

Vibrations