Geometry & MOs

Info

ID:

437671

PubChem CID:

135226836

Reduced:

SN2O2C15H17 (2)

Stoich.:

AB2C2D15E17 (2)

Weight, g/mol:

471.18596

ΔHf, kcal/mol:

-64.31

Dipole, Da:

3.27

IP(EA), eV:

 -8.62(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[amino-(1-chlorocyclopropyl)amino]sulfanyl-2-(cyclohexylamino)phenyl]-2,6-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=O)N(C=C3C4=C(C=CC(=C4)S(=N)(=O)C)NC5CCC6(CC5)CC6)C

DOS

IR

Vibrations