Geometry & MOs

Info

ID:

440466

PubChem CID:

135230443

Reduced:

FO3N8C29H31 (1)

Stoich.:

AB3C8D29E31 (1)

Weight, g/mol:

582.27661

ΔHf, kcal/mol:

-3.13

Dipole, Da:

8.08

IP(EA), eV:

 -8.36(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(1-acetylpiperidin-4-yl)methoxy]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(NCC3)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations