Geometry & MOs

Info

ID:

440389

PubChem CID:

135230348

Reduced:

FO3N8C29H31 (1)

Stoich.:

AB3C8D29E31 (1)

Weight, g/mol:

515.245644

ΔHf, kcal/mol:

19.88

Dipole, Da:

10.26

IP(EA), eV:

 -9.2(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-cyclobutyl-4-methyl-5-(1-methylpyrazol-4-yl)pyrazol-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(N=C2)C3CC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations