Geometry & MOs

Info

ID:	223467
PubChem CID:	85335085
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	377.083413
ΔH_f, kcal/mol:	-206.4
Dipole, Da:	5.16
IP(EA), eV:	-9.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-4aH-quinoline-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2C(=O)OC)CN(C=O)O

DOS

IR

Vibrations