Geometry & MOs

Info

ID:	165287
PubChem CID:	74526992
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	4.98
IP(EA), eV:	-8.79(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(4-ethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CCC2=CSC(=N2)NC(=O)C3C=CC(=O)N=C3

DOS

IR

Vibrations