Geometry & MOs

Info

ID:

440525

PubChem CID:

135230511

Reduced:

F2O4N7C29H31 (1)

Stoich.:

A2B4C7D29E31 (1)

Weight, g/mol:

563.265631

ΔHf, kcal/mol:

-118.35

Dipole, Da:

8.23

IP(EA), eV:

 -8.76(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(N=C4)F)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations