Geometry & MOs

Info

ID:	437289
PubChem CID:	135221762
Reduced:	SO3N5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	6.42
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)C(C)C5=CN=CC=C5)C

DOS

IR

Vibrations