Geometry & MOs

Info

ID:

398849

PubChem CID:

135035759

Reduced:

ON2H17C22 (1)

Stoich.:

AB2C17D22 (1)

Weight, g/mol:

726.123974

ΔHf, kcal/mol:

64.63

Dipole, Da:

3.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.313624

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S)-2-hydroxy-3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C4C=CC=C[C]4N3C1=O)C5=CC=CC=C5

DOS

IR

Vibrations