Geometry & MOs

Info

ID:

163190

PubChem CID:

57654342

Reduced:

N3O5C28H41 (1)

Stoich.:

A3B5C28D41 (1)

Weight, g/mol:

783.234149

ΔHf, kcal/mol:

-225.99

Dipole, Da:

7.1

IP(EA), eV:

 -8.67(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[2-[2,5-dioxo-3-[2-oxo-2-(6-oxoheptylamino)ethyl]sulfanylpyrrolidin-1-yl]acetyl]amino]ethoxy]acetyl]-[[4-[2-[2-(methylamino)cyclohexen-1-yl]-2-oxoethyl]phenyl]methyl]azanide;rubidium(1+)

Drug info:

PubChemData

Smile

CC(=O)CCCCCNC(=O)CCCOCC(=O)NCC1=CC=C(C=C1)C(=O)C2=C(CCCC2)NC

DOS

IR

Vibrations