Geometry & MOs

Info

ID:

440591

PubChem CID:

135230588

Reduced:

F2O4N7C28H29 (1)

Stoich.:

A2B4C7D28E29 (1)

Weight, g/mol:

606.215072

ΔHf, kcal/mol:

-89.62

Dipole, Da:

9.23

IP(EA), eV:

 -8.92(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-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(=C(N=C2)OC)F)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations