Geometry & MOs

Info

ID:

440357

PubChem CID:

135230316

Reduced:

F2O5N7C31H33 (1)

Stoich.:

A2B5C7D31E33 (1)

Weight, g/mol:

523.254317

ΔHf, kcal/mol:

-162.26

Dipole, Da:

10.33

IP(EA), eV:

 -8.87(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-2-(2-methoxyethyl)-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

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)C(=O)NC)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations