Geometry & MOs

Info

ID:

437425

PubChem CID:

135226288

Reduced:

FSO6N8C29H33 (1)

Stoich.:

ABC6D8E29F33 (1)

Weight, g/mol:

657.218109

ΔHf, kcal/mol:

-135.49

Dipole, Da:

14.64

IP(EA), eV:

 -9.45(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-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=CN(C(=O)C(=C2)S(=O)(=O)NC)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations