Geometry & MOs

Info

ID:	134383
PubChem CID:	51688662
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	9.7
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)[C@H]2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Br)OC

DOS

IR

Vibrations