Geometry & MOs

Info

ID:

440397

PubChem CID:

135230356

Reduced:

F2O4N7C30H33 (1)

Stoich.:

A2B4C7D30E33 (1)

Weight, g/mol:

493.243753

ΔHf, kcal/mol:

-124.37

Dipole, Da:

8.63

IP(EA), eV:

 -8.71(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-2-ethyl-5-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

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=CN(C(=O)C(=C5)C(NC)O)C)C

DOS

IR

Vibrations