Geometry & MOs

Info

ID:

432500

PubChem CID:

135172633

Reduced:

F3O8C39H41 (1)

Stoich.:

A3B8C39D41 (1)

Weight, g/mol:

393.216475

ΔHf, kcal/mol:

-431.32

Dipole, Da:

3.42

IP(EA), eV:

 -9.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CCC(CC4)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations