Geometry & MOs

Info

ID:

446215

PubChem CID:

135273196

Reduced:

ON5C12H17 (1)

Stoich.:

AB5C12D17 (1)

Weight, g/mol:

844.302111

ΔHf, kcal/mol:

16.71

Dipole, Da:

6.02

IP(EA), eV:

 -8.96(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-ethynylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]oxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C[C@@H](C)NC(=O)C2=NNC(=C2)C

DOS

IR

Vibrations