Geometry & MOs

Info

ID:

440638

PubChem CID:

135230683

Reduced:

FSN8O8C35H41 (1)

Stoich.:

ABC8D8E35F41 (1)

Weight, g/mol:

621.216967

ΔHf, kcal/mol:

-222.1

Dipole, Da:

11.48

IP(EA), eV:

 -9.19(-0.95)

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-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)NC3CCS(=O)(=O)CC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(N=C6)OC)F)CCOC

DOS

IR

Vibrations