Geometry & MOs

Info

ID:

223013

PubChem CID:

85333884

Reduced:

SN8O11C42H64 (1)

Stoich.:

AB8C11D42E64 (1)

Weight, g/mol:

890.42238

ΔHf, kcal/mol:

-489.04

Dipole, Da:

2.2

IP(EA), eV:

 -8.9(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[N'-[N'-[6-[[amino-[[amino-[4-(6-carboxy-8-ethyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCCCCC(=O)NC(CCCCNC(=O)CCCC3C4C(CS3)NC(=O)N4)C(=O)N

DOS

IR

Vibrations