Geometry & MOs

Info

ID:

448756

PubChem CID:

135293380

Reduced:

O2N4F8H18C23 (1)

Stoich.:

A2B4C8D18E23 (1)

Weight, g/mol:

469.134872

ΔHf, kcal/mol:

-359.37

Dipole, Da:

2.7

IP(EA), eV:

 -9.5(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-yl]propyl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)F)COC2=CN=C(C=C2)C(C(CN(C=N)N)(C3=C(C=C(C=C3)F)F)O)(F)F

DOS

IR

Vibrations