Geometry & MOs

Info

ID:

440606

PubChem CID:

135230620

Reduced:

F2O4N8C29H30 (1)

Stoich.:

A2B4C8D29E30 (1)

Weight, g/mol:

628.29218

ΔHf, kcal/mol:

-87.95

Dipole, Da:

9.64

IP(EA), eV:

 -9.4(-0.93)

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-[(5S)-3-oxabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations