Geometry & MOs

Info

ID:

229102

PubChem CID:

87566951

Reduced:

NF3O8H32C37 (1)

Stoich.:

AB3C8D32E37 (1)

Weight, g/mol:

475.107908

ΔHf, kcal/mol:

-404.83

Dipole, Da:

4.36

IP(EA), eV:

 -9.46(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenoxy]ethyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(COC(=O)CC1=C(C(=CC=C1)C=O)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)(C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations