Geometry & MOs

Info

ID:	232794
PubChem CID:	87577035
Reduced:	SN3O5C19H35 (1)
Stoich.:	AB3C5D19E35 (1)
Weight, g/mol:	412.111
ΔH_f, kcal/mol:	-275.06
Dipole, Da:	3.5
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1,2-bis(dimethylamino)ethyl]-6-bromo-1-oxido-4H-1,8-naphthyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCC(NC(=O)CCCCCN(CCCCCC(=O)N)C(=S)C)OC(=O)CO

DOS

IR

Vibrations