Geometry & MOs

Info

ID:

437412

PubChem CID:

135226273

Reduced:

FO5N7C31H34 (1)

Stoich.:

AB5C7D31E34 (1)

Weight, g/mol:

531.239416

ΔHf, kcal/mol:

-118.56

Dipole, Da:

9.93

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(2-methylpyrimidin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations