Geometry & MOs

Info

ID:	78889
PubChem CID:	49742650
Reduced:	O5N6C20H20 (1)
Stoich.:	A5B6C20D20 (1)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	4.99
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]-1,3-benzothiazole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC4=C(C=C3)C(=CC(=O)N4)COC

DOS

IR

Vibrations