Geometry & MOs

Info

ID:

440392

PubChem CID:

135230351

Reduced:

F4O5N8C33H36 (1)

Stoich.:

A4B5C8D33E36 (1)

Weight, g/mol:

650.233221

ΔHf, kcal/mol:

-287.49

Dipole, Da:

15.25

IP(EA), eV:

 -8.93(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations