Geometry & MOs

Info

ID:

440508

PubChem CID:

135230494

Reduced:

O3N6C23H28 (1)

Stoich.:

A3B6C23D28 (1)

Weight, g/mol:

588.26088

ΔHf, kcal/mol:

-20.05

Dipole, Da:

5.79

IP(EA), eV:

 -8.88(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-N-[[[4-methyl-5-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]amino]methoxymethyl]-1,2-oxazolidin-4-amine

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC(=O)N(C=C4)C)C

DOS

IR

Vibrations