Geometry & MOs

Info

ID:

425453

PubChem CID:

135126375

Reduced:

N2O3C26H26 (1)

Stoich.:

A2B3C26D26 (1)

Weight, g/mol:

548.145359

ΔHf, kcal/mol:

-55.71

Dipole, Da:

2.65

IP(EA), eV:

 -9.01(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5S)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-1-(fluoromethyl)-4-methyl-8,8-dioxo-8lambda6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine

Drug info:

PubChemData

Smile

CC1=NC=CC2=C1C=CC(=C2)C3=CC4=C(C=C3)OC5(CCN(CC5)C(=O)C6CC6)OC4

DOS

IR

Vibrations