Geometry & MOs

Info

ID:	231519
PubChem CID:	87574022
Reduced:	ClO3C4H6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	453.165976
ΔH_f, kcal/mol:	-281.41
Dipole, Da:	1.4
IP(EA), eV:	-10.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;formic acid;hydrate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C(O[C@H]1O)CO)OC(=O)C(Cl)Cl)O

DOS

IR

Vibrations