Geometry & MOs

Info

ID:

440361

PubChem CID:

135230320

Reduced:

O4N7C22H27 (1)

Stoich.:

A4B7C22D27 (1)

Weight, g/mol:

552.259737

ΔHf, kcal/mol:

-24.91

Dipole, Da:

9.26

IP(EA), eV:

 -8.94(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-2-(2-methoxyethyl)-5-phenyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(OC4)CCOC

DOS

IR

Vibrations