Geometry & MOs

Info

ID:	78025
PubChem CID:	49681565
Reduced:	BrClSN3O3H15C16 (1)
Stoich.:	ABCD3E3F15G16 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	5.45
IP(EA), eV:	-9.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-ethoxynaphthalene-1-carbonyl)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)C3=C(C=CC(=C3)Br)Cl

DOS

IR

Vibrations