Geometry & MOs

Info

ID:

308245

PubChem CID:

125324406

Reduced:

SO3N4H26C29 (1)

Stoich.:

AB3C4D26E29 (1)

Weight, g/mol:

415.190734

ΔHf, kcal/mol:

29.77

Dipole, Da:

5.57

IP(EA), eV:

 -8.72(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CS[C@H]2N=C3C(=CN=C3C(=O)N2C4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations