Geometry & MOs

Info

ID:

229529

PubChem CID:

87567949

Reduced:

F3N4O5C29H35 (1)

Stoich.:

A3B4C5D29E35 (1)

Weight, g/mol:

541.154859

ΔHf, kcal/mol:

-328.89

Dipole, Da:

5.33

IP(EA), eV:

 -9.75(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,4-diamino-3-methyl-7-[2-(4-methylphenoxy)-6-(trifluoromethyl)phenyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@](C1CC2CCC(C1)N2C(=O)C3=CC=C(C=C3)C(F)(F)F)(C(=O)N4[C@H](CC[C@H]4C(=O)N)C#C)N

DOS

IR

Vibrations