Geometry & MOs

Info

ID:

223069

PubChem CID:

85334460

Reduced:

N11O17C52H89 (1)

Stoich.:

A11B17C52D89 (1)

Weight, g/mol:

1140.488095

ΔHf, kcal/mol:

-873.26

Dipole, Da:

7.16

IP(EA), eV:

 -10.0(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[N'-[N'-[12-[[amino-[[amino-[4-[3-carboxy-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinolin-7-yl]piperazin-1-yl]methylidene]amino]methylidene]amino]dodecyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations