Geometry & MOs

Info

ID:	449024
PubChem CID:	135295322
Reduced:	SO2N7C22H25 (1)
Stoich.:	AB2C7D22E25 (1)
Weight, g/mol:	417.173565
ΔH_f, kcal/mol:	20.93
Dipole, Da:	1.64
IP(EA), eV:	-8.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dimethylpiperazin-1-yl)pyridin-2-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

Drug info:

PubChemData

Smile

COCC(=O)N1CCN(CC1)C2=CC(=NC=C2)NC3NC4=C(S3)C=C(C=C4)C5=CNN=C5

DOS

IR

Vibrations