Geometry & MOs

Info

ID:	426569
PubChem CID:	135148885
Reduced:	Cl2O2N4H30C31 (1)
Stoich.:	A2B2C4D30E31 (1)
Weight, g/mol:	510.14924
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	3.48
IP(EA), eV:	-9.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-chloro-6-(3-methoxynaphthalen-1-yl)-[1,2]thiazolo[3,4-b]pyridin-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=NC(=O)N(C3=CC(=C(C=C32)Cl)C4=CC=CC=C4Cl)C5=CC=CC=C5C(C)C)C(=O)C=C

DOS

IR

Vibrations