Geometry & MOs

Info

ID:

309319

PubChem CID:

126544602

Reduced:

PN3O9C21H24 (1)

Stoich.:

AB3C9D21E24 (1)

Weight, g/mol:

560.227135

ΔHf, kcal/mol:

-372.91

Dipole, Da:

10.35

IP(EA), eV:

 -9.59(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[[(E)-1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)OC)N[P@@](=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1C#C)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3

DOS

IR

Vibrations