Geometry & MOs

Info

ID:

437436

PubChem CID:

135226299

Reduced:

F2O5N7H27C28 (1)

Stoich.:

A2B5C7D27E28 (1)

Weight, g/mol:

606.251458

ΔHf, kcal/mol:

-129.14

Dipole, Da:

8.66

IP(EA), eV:

 -9.57(-1.2)

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-[2-(3-hydroxyazetidin-1-yl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations