Geometry & MOs

Info

ID:

49898

PubChem CID:

11534180

Reduced:

PF2N2O6C28H31 (1)

Stoich.:

AB2C2D6E28F31 (1)

Weight, g/mol:

560.150524

ΔHf, kcal/mol:

-370.07

Dipole, Da:

5.96

IP(EA), eV:

 -9.45(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[[2-[4-fluoro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-(furan-2-ylmethyl)amino]methyl]phenyl]sulfanyl-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations