Geometry & MOs

Info

ID:

440588

PubChem CID:

135230585

Reduced:

F2O5N7C29H29 (1)

Stoich.:

A2B5C7D29E29 (1)

Weight, g/mol:

619.271859

ΔHf, kcal/mol:

-115.25

Dipole, Da:

9.58

IP(EA), eV:

 -8.78(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[6-(3-methoxyazetidin-1-yl)pyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)OCCO3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(N=C6)F)F)CCOC

DOS

IR

Vibrations