Geometry & MOs

Info

ID:	449032
PubChem CID:	135295385
Reduced:	O2S2N7C28H39 (1)
Stoich.:	A2B2C7D28E39 (1)
Weight, g/mol:	447.18413
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	2.46
IP(EA), eV:	-8.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[[5-(2-methylpyridin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridin-4-yl]-propylamino]ethyl]formamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C(=NC(=N2)N3CCOCC3)C4=CC(=C(N=C4)OC)NSC)CN5CCC(CC5)N6CCCC6

DOS

IR

Vibrations