Geometry & MOs

Info

ID:	78902
PubChem CID:	49742676
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	366.078662
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	4.21
IP(EA), eV:	-9.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]-2,1,3-benzothiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)N3)COC

DOS

IR

Vibrations