Geometry & MOs

Info

ID:

444246

PubChem CID:

135261847

Reduced:

ClF3O5N7H41C42 (1)

Stoich.:

AB3C5D7E41F42 (1)

Weight, g/mol:

815.393436

ΔHf, kcal/mol:

-245.17

Dipole, Da:

9.87

IP(EA), eV:

 -8.75(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-oxo-3-[3-[1-[3-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-4-yl]phenoxy]-2H-pyrrol-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CCNC5=CC=CC6=C5C(=O)N(C6=O)C7=CC=C(NC7=O)C(F)(F)F)C

DOS

IR

Vibrations