Geometry & MOs

Info

ID:

437434

PubChem CID:

135226297

Reduced:

FO5N7C28H28 (1)

Stoich.:

AB5C7D28E28 (1)

Weight, g/mol:

592.224574

ΔHf, kcal/mol:

-92.64

Dipole, Da:

13.47

IP(EA), eV:

 -9.43(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations