Geometry & MOs

Info

ID:

226604

PubChem CID:

87544354

Reduced:

O2N5H21C22 (1)

Stoich.:

A2B5C21D22 (1)

Weight, g/mol:

685.269888

ΔHf, kcal/mol:

60.89

Dipole, Da:

3.7

IP(EA), eV:

 -7.91(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-[(E)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxypyridin-2-yl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NC\1=CN(N/C1=C\2/N=CC(=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations