Geometry & MOs

Info

ID:	426570
PubChem CID:	135148887
Reduced:	ClSO3N4C26H27 (1)
Stoich.:	ABC3D4E26F27 (1)
Weight, g/mol:	388.052752
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	8.77
IP(EA), eV:	-8.39(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=C(C(=NC3=NS2)C4=CC(=CC5=CC=CC=C54)OC)Cl

DOS

IR

Vibrations