Geometry & MOs

Info

ID:	44186
PubChem CID:	10501793
Reduced:	ClF3N3O4C16H21 (1)
Stoich.:	AB3C3D4E16F21 (1)
Weight, g/mol:	411.116126
ΔH_f, kcal/mol:	-276.11
Dipole, Da:	5.77
IP(EA), eV:	-8.79(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC[N+](CC)(CCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C(F)(F)F)Cl)[O-]

DOS

IR

Vibrations