Geometry & MOs

Info

ID:

440597

PubChem CID:

135230594

Reduced:

F2O3N8C25H34 (1)

Stoich.:

A2B3C8D25E34 (1)

Weight, g/mol:

609.231137

ΔHf, kcal/mol:

-89.49

Dipole, Da:

7.36

IP(EA), eV:

 -8.87(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-fluoroethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)CCN(C)C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(C=C4)F)F)CCOC

DOS

IR

Vibrations