Geometry & MOs

Info

ID:

440619

PubChem CID:

135230633

Reduced:

FO4N7C28H30 (1)

Stoich.:

AB4C7D28E30 (1)

Weight, g/mol:

588.224494

ΔHf, kcal/mol:

-65.49

Dipole, Da:

10.17

IP(EA), eV:

 -8.83(-0.71)

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-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations