Geometry & MOs

Info

ID:

444024

PubChem CID:

135261059

Reduced:

SN4O6C31H34 (1)

Stoich.:

AB4C6D31E34 (1)

Weight, g/mol:

590.219906

ΔHf, kcal/mol:

-176.68

Dipole, Da:

5.01

IP(EA), eV:

 -8.97(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(cyclohexylamino)-3-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-1-oxopropan-2-yl] N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)OC4=CC=C(C=C4)C[C@@H](C(=O)NC5CCCCC5)N(C)C(=O)O

DOS

IR

Vibrations