Geometry & MOs

Info

ID:

437503

PubChem CID:

135226428

Reduced:

FO4N10C30H35 (1)

Stoich.:

AB4C10D30E35 (1)

Weight, g/mol:

471.208196

ΔHf, kcal/mol:

-4.16

Dipole, Da:

10.5

IP(EA), eV:

 -8.75(-0.86)

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-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCNOCC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations