Geometry & MOs

Info

ID:

440385

PubChem CID:

135230344

Reduced:

FO5N7C27H34 (1)

Stoich.:

AB5C7D27E34 (1)

Weight, g/mol:

618.271444

ΔHf, kcal/mol:

-150.79

Dipole, Da:

12.53

IP(EA), eV:

 -9.32(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(=O)NCC(C)(C)O)C2=CC=CC=C2)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC

DOS

IR

Vibrations