Geometry & MOs

Info

ID:	78028
PubChem CID:	49681570
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	1.67
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(4-ethoxyphenoxy)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)C(C)OC3=CC=CC=C3

DOS

IR

Vibrations