Geometry & MOs

Info

ID:

440620

PubChem CID:

135230636

Reduced:

FO5N8C29H29 (1)

Stoich.:

AB5C8D29E29 (1)

Weight, g/mol:

507.223017

ΔHf, kcal/mol:

-76.62

Dipole, Da:

11.87

IP(EA), eV:

 -8.91(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(2-methoxyethyl)-5-methyl-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=CC3=C(NC(=O)CO3)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations