Geometry & MOs

Info

ID:

16913

PubChem CID:

479564

Reduced:

FO3N5C23H30 (1)

Stoich.:

AB3C5D23E30 (1)

Weight, g/mol:

443.233268

ΔHf, kcal/mol:

-113.28

Dipole, Da:

15.01

IP(EA), eV:

 -8.62(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-amino-4-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@H]1N)C2CN(CC2N)C3=C(C4=C(C=C(C(=O)N4C=C3F)C(=O)O)C5CC5)C

DOS

IR

Vibrations