Geometry & MOs

Info

ID:

222973

PubChem CID:

85333601

Reduced:

ClO3N5C17H23 (2)

Stoich.:

AB3C5D17E23 (2)

Weight, g/mol:

761.273316

ΔHf, kcal/mol:

-106.72

Dipole, Da:

6.09

IP(EA), eV:

 -8.63(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[N'-[4-(11-carboxy-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-6-yl)piperazine-1-carboximidoyl]carbamimidoyl]piperazin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC(=NOCC(=NOCC(=NO)N)N)C(CCN1CCC(CC1)N2CCCN(C2=O)CC(=O)N)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations