Geometry & MOs

Info

ID:	60119
PubChem CID:	26675706
Reduced:	ClSN2O5H17C21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	487.141321
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	4.52
IP(EA), eV:	-8.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(diethylsulfamoyl)-2-nitrophenoxy]methyl]-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OCC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations