Geometry & MOs

Info

ID:

437481

PubChem CID:

135226406

Reduced:

FO5N9C31H32 (1)

Stoich.:

AB5C9D31E32 (1)

Weight, g/mol:

538.225243

ΔHf, kcal/mol:

-46.23

Dipole, Da:

10.19

IP(EA), eV:

 -8.93(-0.81)

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-methylpyrazol-4-yl)-2-pyridin-2-ylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3CC(=O)OC)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations