Geometry & MOs

Info

ID:

185251

PubChem CID:

77275333

Reduced:

O4N8C27H38 (1)

Stoich.:

A4B8C27D38 (1)

Weight, g/mol:

546.156907

ΔHf, kcal/mol:

-109.1

Dipole, Da:

5.75

IP(EA), eV:

 -8.53(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[3-chloro-2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(1-hydroxy-4-methoxybutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=C2C=C(NC2=NC(=N1)NC3=NC=C(C=C3)N4CC5(CCCNCC5)OC4=O)C(=O)O.CNC

DOS

IR

Vibrations