Geometry & MOs

Info

ID:	440973
PubChem CID:	135232538
Reduced:	SO2N6C26H26 (1)
Stoich.:	AB2C6D26E26 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	18.83
Dipole, Da:	6.87
IP(EA), eV:	-8.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)CC5=CN=CC=C5)C(C)C

DOS

IR

Vibrations