Geometry & MOs

Info

ID:

440563

PubChem CID:

135230560

Reduced:

F4O5N7C31H31 (1)

Stoich.:

A4B5C7D31E31 (1)

Weight, g/mol:

613.292514

ΔHf, kcal/mol:

-237.25

Dipole, Da:

4.39

IP(EA), eV:

 -9.17(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations