Geometry & MOs

Info

ID:

440557

PubChem CID:

135230554

Reduced:

FO4N8C33H37 (1)

Stoich.:

AB4C8D33E37 (1)

Weight, g/mol:

595.215487

ΔHf, kcal/mol:

-51.8

Dipole, Da:

6.58

IP(EA), eV:

 -9.26(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NCC2CC2)C3=NN(C(=C3C)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC)C6=CC=CC=C6

DOS

IR

Vibrations