Geometry & MOs

Info

ID:	134385
PubChem CID:	51688740
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	7.25
IP(EA), eV:	-8.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-2-(ethylamino)-7-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCNC1=NC2=C(S1)[C@H](CC(=O)N2)C3=CC4=C(C(=C3OC)OC)OCO4

DOS

IR

Vibrations