Geometry & MOs

Info

ID:

440488

PubChem CID:

135230474

Reduced:

FO3N8C29H29 (1)

Stoich.:

AB3C8D29E29 (1)

Weight, g/mol:

564.22966

ΔHf, kcal/mol:

20.22

Dipole, Da:

11.13

IP(EA), eV:

 -8.87(-0.85)

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-[5-[6-(hydroxymethyl)pyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN3C=CN=C3C=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations