Geometry & MOs

Info

ID:

224167

PubChem CID:

85339036

Reduced:

N8O10C45H56 (1)

Stoich.:

A8B10C45D56 (1)

Weight, g/mol:

770.327542

ΔHf, kcal/mol:

-370.88

Dipole, Da:

7.21

IP(EA), eV:

 -8.72(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 6-[2-[3-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl]-2-ethylcyclohex-2-en-1-ylidene]-3H-[1,3]oxazolo[4,5-b]pyridin-4-ium-4-yl]hexanoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1C2CCCCC2CCN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)OC(=O)NCC(=O)ON6C(=O)CCC6=O

DOS

IR

Vibrations