Geometry & MOs

Info

ID:	438816
PubChem CID:	135228573
Reduced:	N3C7H13 (1)
Stoich.:	A3B7C13 (1)
Weight, g/mol:	525.180781
ΔH_f, kcal/mol:	30.02
Dipole, Da:	4.24
IP(EA), eV:	-8.49(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-ethylsulfonylphenyl)-N-[6-(3-methoxy-2-oxo-1H-pyridazin-2-ium-6-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N(CN=C1C)N)C

DOS

IR

Vibrations