Geometry & MOs

Info

ID:

440548

PubChem CID:

135230545

Reduced:

F2O5N7C30H31 (1)

Stoich.:

A2B5C7D30E31 (1)

Weight, g/mol:

656.248264

ΔHf, kcal/mol:

-111.79

Dipole, Da:

13.78

IP(EA), eV:

 -9.19(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations