Geometry & MOs

Info

ID:

81797

PubChem CID:

49855171

Reduced:

NO2F4H23C26 (1)

Stoich.:

AB2C4D23E26 (1)

Weight, g/mol:

505.167634

ΔHf, kcal/mol:

-219.78

Dipole, Da:

8.44

IP(EA), eV:

 -9.3(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]-6,7-dihydro-5H-indene-1-carboxamide

Drug info:

PubChemData

Smile

C1CC=C2C=CC(=C2C1)C(=O)N[C@H](CC3=CC=C(C=C3)C(F)(F)F)[C@H](C4=CC=C(C=C4)F)O

DOS

IR

Vibrations