Geometry & MOs

Info

ID:

444317

PubChem CID:

135262066

Reduced:

SN6H28C30 (1)

Stoich.:

AB6C28D30 (1)

Weight, g/mol:

836.377659

ΔHf, kcal/mol:

181.3

Dipole, Da:

6.38

IP(EA), eV:

 -8.31(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[5-[3-[1-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenoxy]pentyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCCCC7)/C=C32

DOS

IR

Vibrations