Geometry & MOs

Info

ID:

81748

PubChem CID:

49855088

Reduced:

ClSF2O4N5H18C19 (1)

Stoich.:

ABC2D4E5F18G19 (1)

Weight, g/mol:

630.248326

ΔHf, kcal/mol:

-164.31

Dipole, Da:

3.53

IP(EA), eV:

 -8.9(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=C(C(=C(C=C3)F)F)OC)NS(=O)(=O)C

DOS

IR

Vibrations