Geometry & MOs

Info

ID:	217984
PubChem CID:	85088694
Reduced:	ClSN3O4C18H28 (1)
Stoich.:	ABC3D4E18F28 (1)
Weight, g/mol:	417.99382
ΔH_f, kcal/mol:	-185.85
Dipole, Da:	7.19
IP(EA), eV:	-9.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-iodo-4-oxo-4aH-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4CCNC4)C(=O)O)C(C)O.Cl

DOS

IR

Vibrations