Geometry & MOs

Info

ID:

440643

PubChem CID:

135230701

Reduced:

SF2O4N9C31H31 (1)

Stoich.:

AB2C4D9E31F31 (1)

Weight, g/mol:

640.303413

ΔHf, kcal/mol:

-62.29

Dipole, Da:

5.63

IP(EA), eV:

 -8.88(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)C(NC)O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CC6=CSN=N6

DOS

IR

Vibrations