Geometry & MOs

Info

ID:	449028
PubChem CID:	135295364
Reduced:	SN6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	463.21543
ΔH_f, kcal/mol:	88.4
Dipole, Da:	3.71
IP(EA), eV:	-8.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-6-yl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC(=NC=C1)NC2=NC3=C(S2)C=C(C=C3)C4=C(NN=C4)C

DOS

IR

Vibrations