Geometry & MOs

Info

ID:	78027
PubChem CID:	49681569
Reduced:	SN3O5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-140.84
Dipole, Da:	3.54
IP(EA), eV:	-8.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-phenoxypropanoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC(=N2)NC(=O)/C=C\C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations