Geometry & MOs

Info

ID:

214745

PubChem CID:

85083571

Reduced:

N2O3C17H19 (2)

Stoich.:

A2B3C17D19 (2)

Weight, g/mol:

598.237368

ΔHf, kcal/mol:

-154.28

Dipole, Da:

2.94

IP(EA), eV:

 -8.68(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[4-[4-[4-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]propanamide

Drug info:

PubChemData

Smile

COC1C(C(OC(C1O)COCC2=CC=C(C=C2)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)NC(=O)CN=C(N)N

DOS

IR

Vibrations