Geometry & MOs

Info

ID:	78017
PubChem CID:	49681548
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-177.65
Dipole, Da:	4.44
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(3-methoxyphenoxy)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\C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations