Geometry & MOs

Info

ID:

191606

PubChem CID:

78168123

Reduced:

S2N7O11C20H23 (1)

Stoich.:

A2B7C11D20E23 (1)

Weight, g/mol:

504.228517

ΔHf, kcal/mol:

-324.23

Dipole, Da:

12.6

IP(EA), eV:

 -8.56(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)O)CNC(=O)C3=CC(=O)C(=CN3C)O

DOS

IR

Vibrations