Geometry & MOs

Info

ID:

223015

PubChem CID:

85333896

Reduced:

O10N11C42H75 (1)

Stoich.:

A10B11C42D75 (1)

Weight, g/mol:

918.345393

ΔHf, kcal/mol:

-517.33

Dipole, Da:

10.51

IP(EA), eV:

 -9.25(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[N'-[6-[[amino-[[amino-[5-(6-fluoro-3,4-dioxo-9,9a-dihydro-3aH-[1,2]thiazolo[5,4-b]quinolin-7-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]-5-(6-fluoro-3,4-dioxo-9,9a-dihydro-3aH-[1,2]thiazolo[5,4-b]quinolin-7-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboximidamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)O)N

DOS

IR

Vibrations