Geometry & MOs

Info

ID:

440380

PubChem CID:

135230339

Reduced:

F2O3N8C29H30 (1)

Stoich.:

A2B3C8D29E30 (1)

Weight, g/mol:

633.307496

ΔHf, kcal/mol:

-30.56

Dipole, Da:

7.93

IP(EA), eV:

 -9.28(-1.08)

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-[5-[5-(3-hydroxypentan-3-yl)-6-methoxypyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C3CC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(N=C6)F)F)CCOC

DOS

IR

Vibrations