Geometry & MOs

Info

ID:	176858
PubChem CID:	76105922
Reduced:	SN2O5C10H13 (2)
Stoich.:	AB2C5D10E13 (2)
Weight, g/mol:	436.172225
ΔH_f, kcal/mol:	-289.23
Dipole, Da:	9.52
IP(EA), eV:	-8.63(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-[3-(1-aminocyclobutyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CCSSCCC(C(=O)ON1C(=CC=C1O)O)NC(=O)C)C(=O)ON2C(=CC=C2O)O

DOS

IR

Vibrations