Geometry & MOs

Info

ID:	60227
PubChem CID:	26675943
Reduced:	SCl2O2N6C11H12 (1)
Stoich.:	AB2C2D6E11F12 (1)
Weight, g/mol:	452.036434
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	6.29
IP(EA), eV:	-9.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3,4-dichlorophenyl)sulfonyl-methylamino]methyl]-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=NC(=NC(=N1)N)N)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations