Geometry & MOs

Info

ID:	437311
PubChem CID:	135223203
Reduced:	ClSO3N4H19C23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	10.03
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CNN=C4

DOS

IR

Vibrations