Geometry & MOs

Info

ID:	78018
PubChem CID:	49681550
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	379.100205
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	3.07
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-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)COC3=CC=CC(=C3)OC

DOS

IR

Vibrations