Geometry & MOs

Info

ID:	134384
PubChem CID:	51688739
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-134.01
Dipole, Da:	6.68
IP(EA), eV:	-8.39(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-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

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

DOS

IR

Vibrations