Geometry & MOs

Info

ID:

440627

PubChem CID:

135230643

Reduced:

F2O3N8H28C30 (1)

Stoich.:

A2B3C8D28E30 (1)

Weight, g/mol:

528.306018

ΔHf, kcal/mol:

-38.92

Dipole, Da:

9.32

IP(EA), eV:

 -9.12(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[2-[5-[[(4R)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN6C=C(N=C6C=C5)C(=O)N)C

DOS

IR

Vibrations