Geometry & MOs

Info

ID:

448757

PubChem CID:

135293381

Reduced:

O2N5F7C18H18 (1)

Stoich.:

A2B5C7D18E18 (1)

Weight, g/mol:

549.1411

ΔHf, kcal/mol:

-331.76

Dipole, Da:

3.69

IP(EA), eV:

 -8.73(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]pyridin-2-yl]-2-hydroxypropyl]methanimidamide

Drug info:

PubChemData

Smile

CC(C(F)(F)F)OC1=CN=C(C=C1)C(C(CN(/C=N\N)N)(C2=C(C=C(C=C2)F)F)O)(F)F

DOS

IR

Vibrations