Geometry & MOs

Info

ID:

412259

PubChem CID:

135085143

Reduced:

OPN2F4H29C44 (1)

Stoich.:

ABC2D4E29F44 (1)

Weight, g/mol:

776.117418

ΔHf, kcal/mol:

-39.05

Dipole, Da:

3.64

IP(EA), eV:

 -9.26(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](N(C(=N2)C3=CC=CC=C3P(C4=CC(=CC(=C4)F)F)C5=CC(=CC(=C5)F)F)C(=O)C6=CC7=CC=CC=C7C=C6)C8=CC=CC=C8

DOS

IR

Vibrations