Geometry & MOs

Info

ID:

440543

PubChem CID:

135230539

Reduced:

O3N9C29H31 (1)

Stoich.:

A3B9C29D31 (1)

Weight, g/mol:

493.207367

ΔHf, kcal/mol:

88.85

Dipole, Da:

7.47

IP(EA), eV:

 -9.09(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(N=N3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC=CC=C6)CCOC

DOS

IR

Vibrations