Geometry & MOs

Info

ID:	308155
PubChem CID:	125317188
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	563.318163
ΔH_f, kcal/mol:	8.42
Dipole, Da:	5.75
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-decyl-2-hydroxy-4-oxo-2,3-dihydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1C=CO[C@@H]1CNC(=O)[C@H]2C(=C(N=NC2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations