Geometry & MOs

Info

ID:	169556
PubChem CID:	75120114
Reduced:	S2N5O5C19H19 (1)
Stoich.:	A2B5C5D19E19 (1)
Weight, g/mol:	453.147075
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	4.36
IP(EA), eV:	-8.76(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3C=CC=NC3=O

DOS

IR

Vibrations