Geometry & MOs

Info

ID:

437455

PubChem CID:

135226318

Reduced:

FO3N9C28H32 (1)

Stoich.:

AB3C9D28E32 (1)

Weight, g/mol:

598.24523

ΔHf, kcal/mol:

24.16

Dipole, Da:

10.55

IP(EA), eV:

 -8.44(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1N2CC3=C(C2)N(N=C3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations