Geometry & MOs

Info

ID:	218368
PubChem CID:	85089237
Reduced:	N2S3O5C19H20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	9.2
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-3-yl) 2-oxo-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(C(=O)N=C1C(C)C)C2=CSC(=N2)CS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations