Geometry & MOs

Info

ID:

437438

PubChem CID:

135226301

Reduced:

F2O5N7C30H31 (1)

Stoich.:

A2B5C7D30E31 (1)

Weight, g/mol:

607.246707

ΔHf, kcal/mol:

-111.91

Dipole, Da:

11.8

IP(EA), eV:

 -9.28(-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-[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)NOC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations