Geometry & MOs

Info

ID:

440362

PubChem CID:

135230321

Reduced:

O3N8C30H32 (1)

Stoich.:

A3B8C30D32 (1)

Weight, g/mol:

508.254652

ΔHf, kcal/mol:

60.14

Dipole, Da:

4.55

IP(EA), eV:

 -8.83(-0.7)

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-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations