Geometry & MOs

Info

ID:

441729

PubChem CID:

135242111

Reduced:

IO3N8H29C32 (1)

Stoich.:

AB3C8D29E32 (1)

Weight, g/mol:

652.177882

ΔHf, kcal/mol:

100.49

Dipole, Da:

4.16

IP(EA), eV:

 -9.14(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(5-cyclohexylpyridin-2-yl)methyl]-N-[3-hydroxy-4-(methylcarbamoyl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC(=N1)CN2C=C(N=N2)C3=CC(=NC(=N3)NC(=O)COC4=CC=CC=C4)C5=C(C=CC=C5I)C#N)OC

DOS

IR

Vibrations