Geometry & MOs

Info

ID:

437428

PubChem CID:

135226291

Reduced:

FO3N8H29C30 (1)

Stoich.:

AB3C8D29E30 (1)

Weight, g/mol:

592.224574

ΔHf, kcal/mol:

24.85

Dipole, Da:

8.66

IP(EA), eV:

 -9.22(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[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=CC3=C(C=CC=N3)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations