Geometry & MOs

Info

ID:	44574
PubChem CID:	10504126
Reduced:	PO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	459.216949
ΔH_f, kcal/mol:	26.88
Dipole, Da:	2.18
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-fluoro-9-methyl-8-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCC(C2=NNN=N2)NCP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations