Geometry & MOs

Info

ID:

437424

PubChem CID:

135226286

Reduced:

FO3N9C29H30 (1)

Stoich.:

AB3C9D29E30 (1)

Weight, g/mol:

640.22278

ΔHf, kcal/mol:

23.82

Dipole, Da:

13.67

IP(EA), eV:

 -8.98(-0.85)

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-5-(methylsulfamoyl)-6-oxopyridin-3-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN3C(=NC(=N3)C)C=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations